2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid

C14H18N2O3 — CID 64822057

IUPAC2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESNC1CCCC1C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c15-12-3-1-2-11(12)14(19)16-10-6-4-9(5-7-10)8-13(17)18/h4-7,11-12H,1-3,8,15H2,(H,16,19)(H,17,18)
InChIKeyYEMKJVFXWQYVNA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid

2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid (PubChem CID 64822057) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
PubChem CID64822057
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESNC1CCCC1C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c15-12-3-1-2-11(12)14(19)16-10-6-4-9(5-7-10)8-13(17)18/h4-7,11-12H,1-3,8,15H2,(H,16,19)(H,17,18)
InChIKeyYEMKJVFXWQYVNA-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
CID 64822288
2-amino-N-(4-cyclopentyloxyphenyl)cyclopentane-1-carboxamide
CID 64824128
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823135
methyl 4-[(2-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671361

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid (CID 64822057) is 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid is NC1CCCC1C(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is YEMKJVFXWQYVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-12-3-1-2-11(12)14(19)16-10-6-4-9(5-7-10)8-13(17)18/h4-7,11-12H,1-3,8,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid?
2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 64822057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).