4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid

C14H17ClN2O3 — CID 115435206

IUPAC4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
SMILESNCC1(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCCC1
InChIInChI=1S/C14H17ClN2O3/c15-11-7-9(3-4-10(11)12(18)19)17-13(20)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,20)(H,18,19)
InChIKeyHANIFGPRPMTLGW-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.50
Rot. Bonds4

About 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid

4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid (PubChem CID 115435206) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
PubChem CID115435206
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
SMILESNCC1(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCCC1
InChIInChI=1S/C14H17ClN2O3/c15-11-7-9(3-4-10(11)12(18)19)17-13(20)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,20)(H,18,19)
InChIKeyHANIFGPRPMTLGW-UHFFFAOYSA-N
XLogP2.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-bromobenzoic acid
CID 115448782
1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 115437474
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926896
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,5-dichlorobenzoic acid
CID 82812564
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
CID 115453515
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-bromobenzoic acid
CID 115435155
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid (CID 115435206) is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid is NCC1(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid?
The InChIKey is HANIFGPRPMTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-7-9(3-4-10(11)12(18)19)17-13(20)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid?
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid is sourced from PubChem (CID 115435206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).