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

C13H17NO3 — CID 55036450

IUPAC2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
SMILESO=C(O)C(NC1CCCC1O)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-11-8-4-7-10(11)14-12(13(16)17)9-5-2-1-3-6-9/h1-3,5-6,10-12,14-15H,4,7-8H2,(H,16,17)
InChIKeyPXKPDZBKTHWYSS-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.32
Rot. Bonds4

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

2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid (PubChem CID 55036450) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
PubChem CID55036450
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
SMILESO=C(O)C(NC1CCCC1O)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-11-8-4-7-10(11)14-12(13(16)17)9-5-2-1-3-6-9/h1-3,5-6,10-12,14-15H,4,7-8H2,(H,16,17)
InChIKeyPXKPDZBKTHWYSS-UHFFFAOYSA-N
XLogP1.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol
CID 102733078
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
CID 62110993
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
CID 103261095
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
CID 62108990
methyl (2R)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-phenylacetate
CID 98077087

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid (CID 55036450) is 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid is O=C(O)C(NC1CCCC1O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid?
The InChIKey is PXKPDZBKTHWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-8-4-7-10(11)14-12(13(16)17)9-5-2-1-3-6-9/h1-3,5-6,10-12,14-15H,4,7-8H2,(H,16,17).
What are the key properties of 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid?
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 55036450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).