3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid

C15H20N2O4 — CID 103870775

IUPAC3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H20N2O4/c18-11-6-4-10(5-7-11)9-13(15(20)21)17-14(19)12-3-1-2-8-16-12/h4-7,12-13,16,18H,1-3,8-9H2,(H,17,19)(H,20,21)/t12-,13?/m0/s1
InChIKeyCKWOWGVLSXDQDM-UEWDXFNNSA-N
MW292.33 g/mol
LogP0.65
Rot. Bonds5

About 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid

3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid (PubChem CID 103870775) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid
PubChem CID103870775
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H20N2O4/c18-11-6-4-10(5-7-11)9-13(15(20)21)17-14(19)12-3-1-2-8-16-12/h4-7,12-13,16,18H,1-3,8-9H2,(H,17,19)(H,20,21)/t12-,13?/m0/s1
InChIKeyCKWOWGVLSXDQDM-UEWDXFNNSA-N
XLogP0.65
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
CID 145457379
3-(4-hydroxyphenyl)-2-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82897866
3-phenyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223664
(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 24875551
(3S)-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-[[(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-oxobutanoic acid
CID 11477989
(4S)-5-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 10186985
cis-(1S,2R)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40729381
(2S)-N-[(1S)-1-cyano-2-[4-(4-hydroxyphenyl)phenyl]ethyl]piperidine-2-carboxamide
CID 42641891
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]propanoic acid
CID 71373701
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid (CID 103870775) is 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid is O=C(O)C(Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid?
The InChIKey is CKWOWGVLSXDQDM-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-11-6-4-10(5-7-11)9-13(15(20)21)17-14(19)12-3-1-2-8-16-12/h4-7,12-13,16,18H,1-3,8-9H2,(H,17,19)(H,20,21)/t12-,13?/m0/s1.
What are the key properties of 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid?
3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 103870775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).