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

C14H25N3O4 — CID 43630634

IUPAC2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C1CCCN(C(=O)N(C)C)C1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-6-11(13(19)20)15-12(18)10-7-5-8-17(9-10)14(21)16(2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,19,20)
InChIKeySFBVGKXVPSJUJL-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.75
Rot. Bonds5

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

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 43630634) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
PubChem CID43630634
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C1CCCN(C(=O)N(C)C)C1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-6-11(13(19)20)15-12(18)10-7-5-8-17(9-10)14(21)16(2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,19,20)
InChIKeySFBVGKXVPSJUJL-UHFFFAOYSA-N
XLogP0.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
(2S)-2-[[(3S)-1-butanoylpiperidine-3-carbonyl]amino]heptanoic acid
CID 97337442
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
3-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 103801482
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid (CID 43630634) is 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid is CCCC(NC(=O)C1CCCN(C(=O)N(C)C)C1)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is SFBVGKXVPSJUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-6-11(13(19)20)15-12(18)10-7-5-8-17(9-10)14(21)16(2)3/h10-11H,4-9H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid?
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 43630634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).