2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid

C14H17ClN2O3 — CID 82768134

IUPAC2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
SMILESCC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCCC1N
InChIInChI=1S/C14H17ClN2O3/c1-14(6-2-3-11(14)16)13(20)17-10-7-8(15)4-5-9(10)12(18)19/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyOTPVKNQPZVLBCT-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.49
Rot. Bonds3

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

2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid (PubChem CID 82768134) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
PubChem CID82768134
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
SMILESCC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCCC1N
InChIInChI=1S/C14H17ClN2O3/c1-14(6-2-3-11(14)16)13(20)17-10-7-8(15)4-5-9(10)12(18)19/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyOTPVKNQPZVLBCT-UHFFFAOYSA-N
XLogP2.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
CID 81171627
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid
CID 82767830
2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763741
2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764359
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-chlorobenzoic acid
CID 115439349
2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764963
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
CID 82764559
2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid (CID 82768134) is 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid is CC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCCC1N.
What is the InChIKey of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid?
The InChIKey is OTPVKNQPZVLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-14(6-2-3-11(14)16)13(20)17-10-7-8(15)4-5-9(10)12(18)19/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid?
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 82768134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).