4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid

C15H19ClN2O3 — CID 103251317

IUPAC4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid
SMILESCC1CCCC1NCC(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-9-3-2-4-12(9)17-8-14(19)18-13-7-10(15(20)21)5-6-11(13)16/h5-7,9,12,17H,2-4,8H2,1H3,(H,18,19)(H,20,21)
InChIKeySYYASLZWNVFCJW-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.75
Rot. Bonds5

About 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid

4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid (PubChem CID 103251317) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid
PubChem CID103251317
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid
SMILESCC1CCCC1NCC(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-9-3-2-4-12(9)17-8-14(19)18-13-7-10(15(20)21)5-6-11(13)16/h5-7,9,12,17H,2-4,8H2,1H3,(H,18,19)(H,20,21)
InChIKeySYYASLZWNVFCJW-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[[(1S,2R)-2-methylcyclohexyl]amino]acetamide
CID 8009217
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
3-[[2-(tert-butylamino)acetyl]amino]-4-chlorobenzoic acid
CID 79256869
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
4-chloro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067888
4-chloro-3-[[2-(pentan-3-ylamino)acetyl]amino]benzoic acid
CID 103231105
4-chloro-3-[[2-[(2-hydroxy-2-methylpropyl)amino]acetyl]amino]benzoic acid
CID 103253128
3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 103251324
4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
CID 62088259
4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid (CID 103251317) is 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid is CC1CCCC1NCC(=O)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid?
The InChIKey is SYYASLZWNVFCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9-3-2-4-12(9)17-8-14(19)18-13-7-10(15(20)21)5-6-11(13)16/h5-7,9,12,17H,2-4,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid?
4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid has a molecular weight of 310.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-[(2-methylcyclopentyl)amino]acetyl]amino]benzoic acid is sourced from PubChem (CID 103251317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).