(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid

C19H27N3O4 — CID 97324277

IUPAC(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCN(C)C(=O)N1CCC[C@H](C(=O)N[C@](C)(Cc2ccccc2)C(=O)O)C1
InChIInChI=1S/C19H27N3O4/c1-19(17(24)25,12-14-8-5-4-6-9-14)20-16(23)15-10-7-11-22(13-15)18(26)21(2)3/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,23)(H,24,25)/t15-,19+/m0/s1
InChIKeyOKIOQAOLMOKPTD-HNAYVOBHSA-N
MW361.44 g/mol
LogP1.58
Rot. Bonds5

About (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid

(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 97324277) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID97324277
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCN(C)C(=O)N1CCC[C@H](C(=O)N[C@](C)(Cc2ccccc2)C(=O)O)C1
InChIInChI=1S/C19H27N3O4/c1-19(17(24)25,12-14-8-5-4-6-9-14)20-16(23)15-10-7-11-22(13-15)18(26)21(2)3/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,23)(H,24,25)/t15-,19+/m0/s1
InChIKeyOKIOQAOLMOKPTD-HNAYVOBHSA-N
XLogP1.58
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75469157
(2S)-2-[[(3S)-1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324282
(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 51956555
2-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915
(3R)-3-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161596
1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
CID 56921075
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 97196453
2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199011
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid (CID 97324277) is (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid is CN(C)C(=O)N1CCC[C@H](C(=O)N[C@](C)(Cc2ccccc2)C(=O)O)C1.
What is the InChIKey of (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is OKIOQAOLMOKPTD-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(17(24)25,12-14-8-5-4-6-9-14)20-16(23)15-10-7-11-22(13-15)18(26)21(2)3/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,23)(H,24,25)/t15-,19+/m0/s1.
What are the key properties of (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 361.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 97324277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).