(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid

C11H19N3O5 — CID 114005009

IUPAC(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESNC(=O)N1CCCC(C(=O)N[C@H](CCO)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c12-11(19)14-4-1-2-7(6-14)9(16)13-8(3-5-15)10(17)18/h7-8,15H,1-6H2,(H2,12,19)(H,13,16)(H,17,18)/t7?,8-/m1/s1
InChIKeyWBUHNWNCMURDDE-BRFYHDHCSA-N
MW273.29 g/mol
LogP-1.27
Rot. Bonds5

About (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 114005009) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID114005009
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESNC(=O)N1CCCC(C(=O)N[C@H](CCO)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c12-11(19)14-4-1-2-7(6-14)9(16)13-8(3-5-15)10(17)18/h7-8,15H,1-6H2,(H2,12,19)(H,13,16)(H,17,18)/t7?,8-/m1/s1
InChIKeyWBUHNWNCMURDDE-BRFYHDHCSA-N
XLogP-1.27
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 61244034
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid (CID 114005009) is (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid is NC(=O)N1CCCC(C(=O)N[C@H](CCO)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is WBUHNWNCMURDDE-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H19N3O5/c12-11(19)14-4-1-2-7(6-14)9(16)13-8(3-5-15)10(17)18/h7-8,15H,1-6H2,(H2,12,19)(H,13,16)(H,17,18)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).