2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid

C14H18N2O3 — CID 62534206

IUPAC2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESNC1(C(=O)Nc2ccccc2CC(=O)O)CCCC1
InChIInChI=1S/C14H18N2O3/c15-14(7-3-4-8-14)13(19)16-11-6-2-1-5-10(11)9-12(17)18/h1-2,5-6H,3-4,7-9,15H2,(H,16,19)(H,17,18)
InChIKeyLKVUYPVYXHYYMB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.52
Rot. Bonds4

About 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid

2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid (PubChem CID 62534206) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
PubChem CID62534206
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESNC1(C(=O)Nc2ccccc2CC(=O)O)CCCC1
InChIInChI=1S/C14H18N2O3/c15-14(7-3-4-8-14)13(19)16-11-6-2-1-5-10(11)9-12(17)18/h1-2,5-6H,3-4,7-9,15H2,(H,16,19)(H,17,18)
InChIKeyLKVUYPVYXHYYMB-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43710737
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1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 65464427
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
2-[2-[(1-methylcyclohexyl)carbamoylamino]phenyl]acetic acid
CID 62536719
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
1-amino-N-[2-(ethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60853345
1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 60866344
1-amino-N-[2-(1-hydroxyethyl)phenyl]cyclobutane-1-carboxamide
CID 81168462
1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81179461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid (CID 62534206) is 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid is NC1(C(=O)Nc2ccccc2CC(=O)O)CCCC1.
What is the InChIKey of 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is LKVUYPVYXHYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-14(7-3-4-8-14)13(19)16-11-6-2-1-5-10(11)9-12(17)18/h1-2,5-6H,3-4,7-9,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62534206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).