(2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid

C15H22N2O3 — CID 125441786

IUPAC(2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid
SMILESCc1ccc(N2CCC(N[C@H](CO)C(=O)O)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11-2-4-13(5-3-11)17-8-6-12(7-9-17)16-14(10-18)15(19)20/h2-5,12,14,16,18H,6-10H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyRMPBKGGUPVCUEP-CQSZACIVSA-N
MW278.35 g/mol
LogP1.00
Rot. Bonds5

About (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid

(2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid (PubChem CID 125441786) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid
PubChem CID125441786
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid
SMILESCc1ccc(N2CCC(N[C@H](CO)C(=O)O)CC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11-2-4-13(5-3-11)17-8-6-12(7-9-17)16-14(10-18)15(19)20/h2-5,12,14,16,18H,6-10H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyRMPBKGGUPVCUEP-CQSZACIVSA-N
XLogP1.00
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]hexanoic acid
CID 122044649
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol
CID 46989155
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222
(2R)-2-[[4-(4-methylphenyl)piperazin-1-yl]sulfanylamino]propanoic acid
CID 143665035
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
(2S)-2-[4-[4-(hydroxymethyl)piperidin-1-yl]anilino]propanoic acid
CID 67550722
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
CID 59343369
2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
CID 115352992

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid (CID 125441786) is (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid is Cc1ccc(N2CCC(N[C@H](CO)C(=O)O)CC2)cc1.
What is the InChIKey of (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid?
The InChIKey is RMPBKGGUPVCUEP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-2-4-13(5-3-11)17-8-6-12(7-9-17)16-14(10-18)15(19)20/h2-5,12,14,16,18H,6-10H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[1-(4-methylphenyl)piperidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 125441786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).