4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid

C14H17FN2O3 — CID 63187706

IUPAC4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
SMILESO=C(CNC1CCCC1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O3/c15-11-7-9(14(19)20)5-6-12(11)17-13(18)8-16-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18)(H,19,20)
InChIKeyVGHGSQGIVRYCIW-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.99
Rot. Bonds5

About 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid

4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid (PubChem CID 63187706) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
PubChem CID63187706
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
SMILESO=C(CNC1CCCC1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O3/c15-11-7-9(14(19)20)5-6-12(11)17-13(18)8-16-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18)(H,19,20)
InChIKeyVGHGSQGIVRYCIW-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
CID 102853789
4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187790
N-(2-cyano-4-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 82015810
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
CID 107452338

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid (CID 63187706) is 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid is O=C(CNC1CCCC1)Nc1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid?
The InChIKey is VGHGSQGIVRYCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-7-9(14(19)20)5-6-12(11)17-13(18)8-16-10-3-1-2-4-10/h5-7,10,16H,1-4,8H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid?
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63187706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).