2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid

C13H23N3O5 — CID 61243104

IUPAC2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)C(=O)N1CCCC(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-15(2)13(21)16-6-3-4-9(8-16)11(18)14-10(5-7-17)12(19)20/h9-10,17H,3-8H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyNOIIEWFYMKREHE-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.67
Rot. Bonds5

About 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid (PubChem CID 61243104) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
PubChem CID61243104
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCN(C)C(=O)N1CCCC(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-15(2)13(21)16-6-3-4-9(8-16)11(18)14-10(5-7-17)12(19)20/h9-10,17H,3-8H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyNOIIEWFYMKREHE-UHFFFAOYSA-N
XLogP-0.67
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 103801482
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 61244034
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 61233623

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid (CID 61243104) is 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid is CN(C)C(=O)N1CCCC(C(=O)NC(CCO)C(=O)O)C1.
What is the InChIKey of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid?
The InChIKey is NOIIEWFYMKREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-15(2)13(21)16-6-3-4-9(8-16)11(18)14-10(5-7-17)12(19)20/h9-10,17H,3-8H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid?
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).