2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid

C14H18N2O3 — CID 64822644

IUPAC2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
SMILESNC1CCCC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-11-8-4-7-10(11)13(17)16-12(14(18)19)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8,15H2,(H,16,17)(H,18,19)
InChIKeyGCGJPVULOBRDMC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.06
Rot. Bonds4

About 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid

2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid (PubChem CID 64822644) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
PubChem CID64822644
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
SMILESNC1CCCC1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-11-8-4-7-10(11)13(17)16-12(14(18)19)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8,15H2,(H,16,17)(H,18,19)
InChIKeyGCGJPVULOBRDMC-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
2-[(2-aminocyclohexanecarbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288703
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869014
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylcyclopentane-1-carboxamide
CID 107178672
(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576
2-amino-N-[1-(3-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823129
(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
CID 104898564
(2S)-2-phenyl-2-(thiolane-2-carbonylamino)acetic acid
CID 113265156

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid (CID 64822644) is 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid is NC1CCCC1C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid?
The InChIKey is GCGJPVULOBRDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-11-8-4-7-10(11)13(17)16-12(14(18)19)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid?
2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 64822644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).