4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

C15H15ClN2O2 — CID 59180219

IUPAC4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)CCC2NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-10-3-1-9(2-4-10)8-17-12-5-6-13-11(12)7-14(18-13)15(19)20/h1-4,7,12,17-18H,5-6,8H2,(H,19,20)
InChIKeyACAABGRFBKRKRY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.14
Rot. Bonds4

About 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (PubChem CID 59180219) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
PubChem CID59180219
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)CCC2NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-10-3-1-9(2-4-10)8-17-12-5-6-13-11(12)7-14(18-13)15(19)20/h1-4,7,12,17-18H,5-6,8H2,(H,19,20)
InChIKeyACAABGRFBKRKRY-UHFFFAOYSA-N
XLogP3.14
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(4-chlorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 59180127
4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 59180241
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978931
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
CID 68661601
2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 106899450
N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980819
8-bromo-N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43772106
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
CID 52510873
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
CID 81146324

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (CID 59180219) is 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is O=C(O)c1cc2c([nH]1)CCC2NCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The InChIKey is ACAABGRFBKRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-10-3-1-9(2-4-10)8-17-12-5-6-13-11(12)7-14(18-13)15(19)20/h1-4,7,12,17-18H,5-6,8H2,(H,19,20).
What are the key properties of 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 59180219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).