(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid

C15H20N2O4 — CID 80756050

IUPAC(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@@H](CO)NC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C15H20N2O4/c18-10-12(13(19)20)17-14(21)15(6-8-16-9-7-15)11-4-2-1-3-5-11/h1-5,12,16,18H,6-10H2,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyWTAJPKQSCMTWMJ-GFCCVEGCSA-N
MW292.34 g/mol
LogP-0.13
Rot. Bonds5

About (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 80756050) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID80756050
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@@H](CO)NC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C15H20N2O4/c18-10-12(13(19)20)17-14(21)15(6-8-16-9-7-15)11-4-2-1-3-5-11/h1-5,12,16,18H,6-10H2,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyWTAJPKQSCMTWMJ-GFCCVEGCSA-N
XLogP-0.13
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
CID 80751083
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 103307088
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723092
4-phenyl-N-piperazin-1-ylpiperidine-4-carboxamide
CID 70118904
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402
N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 4243741

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid (CID 80756050) is (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid is O=C(O)[C@@H](CO)NC(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is WTAJPKQSCMTWMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-10-12(13(19)20)17-14(21)15(6-8-16-9-7-15)11-4-2-1-3-5-11/h1-5,12,16,18H,6-10H2,(H,17,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 80756050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).