4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid

C14H18N2O3 — CID 64678175

IUPAC4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
SMILESNC1(CC(=O)Nc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C14H18N2O3/c15-14(7-1-2-8-14)9-12(17)16-11-5-3-10(4-6-11)13(18)19/h3-6H,1-2,7-9,15H2,(H,16,17)(H,18,19)
InChIKeyOMLACIMZUWRZBG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.98
Rot. Bonds4

About 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid

4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid (PubChem CID 64678175) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
PubChem CID64678175
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
SMILESNC1(CC(=O)Nc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C14H18N2O3/c15-14(7-1-2-8-14)9-12(17)16-11-5-3-10(4-6-11)13(18)19/h3-6H,1-2,7-9,15H2,(H,16,17)(H,18,19)
InChIKeyOMLACIMZUWRZBG-UHFFFAOYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(4-tert-butylphenyl)acetamide
CID 64686111
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64677981
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
CID 64684135
2-(1-aminocyclopentyl)-N-[4-(diethylamino)phenyl]acetamide
CID 64685802
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79843320
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745
2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid (CID 64678175) is 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid is NC1(CC(=O)Nc2ccc(C(=O)O)cc2)CCCC1.
What is the InChIKey of 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid?
The InChIKey is OMLACIMZUWRZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-14(7-1-2-8-14)9-12(17)16-11-5-3-10(4-6-11)13(18)19/h3-6H,1-2,7-9,15H2,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid?
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 64678175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).