2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid

C14H19NO3 — CID 18352519

IUPAC2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NC1CCCC1
InChIInChI=1S/C14H19NO3/c16-12-7-5-10(6-8-12)9-13(14(17)18)15-11-3-1-2-4-11/h5-8,11,13,15-16H,1-4,9H2,(H,17,18)
InChIKeyDLLJLLLKUILULN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds5

About 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid

2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 18352519) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID18352519
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NC1CCCC1
InChIInChI=1S/C14H19NO3/c16-12-7-5-10(6-8-12)9-13(14(17)18)15-11-3-1-2-4-11/h5-8,11,13,15-16H,1-4,9H2,(H,17,18)
InChIKeyDLLJLLLKUILULN-UHFFFAOYSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 28958417
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 7088098
N-cyclohexylcyclohexanamine;(2S)-2-formamido-3-(4-hydroxyphenyl)propanoic acid
CID 71352551
(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 104904500
2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
CID 112514377
2-(cyclopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61187927
cis-(1S,2R)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40729381
[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]astatine
CID 175700349
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid
CID 103870775
(2S)-3-(4-hydroxyphenyl)-2-(oxane-2-carbonylamino)propanoic acid
CID 62213856
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid (CID 18352519) is 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid is O=C(O)C(Cc1ccc(O)cc1)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is DLLJLLLKUILULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-12-7-5-10(6-8-12)9-13(14(17)18)15-11-3-1-2-4-11/h5-8,11,13,15-16H,1-4,9H2,(H,17,18).
What are the key properties of 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid?
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 18352519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).