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

C15H20N2O4 — CID 81128319

IUPAC3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2O4/c18-12-5-3-10(4-6-12)8-13(15(20)21)17-14(19)11-2-1-7-16-9-11/h3-6,11,13,16,18H,1-2,7-9H2,(H,17,19)(H,20,21)/t11-,13?/m1/s1
InChIKeyUTYLUAHQLGPHFM-JTDNENJMSA-N
MW292.33 g/mol
LogP0.50
Rot. Bonds5

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

3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 81128319) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
PubChem CID81128319
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2O4/c18-12-5-3-10(4-6-12)8-13(15(20)21)17-14(19)11-2-1-7-16-9-11/h3-6,11,13,16,18H,1-2,7-9H2,(H,17,19)(H,20,21)/t11-,13?/m1/s1
InChIKeyUTYLUAHQLGPHFM-JTDNENJMSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(4-hydroxyphenyl)-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 104905636
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
(2S)-3-(4-hydroxyphenyl)-2-[[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-1-[(3R)-pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 102008985
3-(4-hydroxyphenyl)-2-(oxane-4-carbonylamino)propanoic acid
CID 43209785
3-(4-hydroxyphenyl)-2-[[(2S)-piperidine-2-carbonyl]amino]propanoic acid
CID 103870775
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
3-(1H-imidazol-5-yl)-2-(piperidine-3-carbonylamino)propanoic acid
CID 76895478
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
(2S)-2-(cyclohex-3-ene-1-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61152254
cis-(1S,2R)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40729381
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid (CID 81128319) is 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid is O=C(O)C(Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is UTYLUAHQLGPHFM-JTDNENJMSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-12-5-3-10(4-6-12)8-13(15(20)21)17-14(19)11-2-1-7-16-9-11/h3-6,11,13,16,18H,1-2,7-9H2,(H,17,19)(H,20,21)/t11-,13?/m1/s1.
What are the key properties of 3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid?
3-(4-hydroxyphenyl)-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.50, 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-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 81128319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).