| Formula |
C18H24ClN3O4 |
| IUPAC Name |
3-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-4-chloro-benzoic acid |
| Molecular Mass |
381.854 g·mol−1 |
| Heat of Formation |
-659.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.61 ± 1.08 D |
| Volume |
444.89 Å 3 |
| Surface Area |
364.44 Å 2 |
| HOMO Energy |
-9.53 ± 0.55 eV |
| LUMO Energy |
-0.78 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonylpyrrolidin-2-yl]methoxy]-4-chloro-benzoic acid
- 3-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-4-chloro-benzoic acid
- 3-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-4-chlorobenzoic acid
- 3-[[(2r,5s)-5-[[(2s)-2-(aminomethyl)-1-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]methoxy]-4-chlorobenzoic acid
- 3-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid
|
| InChIKey |
DUMYZIXJYDQLTO-IPYPFGDCSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
Cl
O
N
|
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