4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

C12H21N3O4 — CID 81072984

IUPAC4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N1CCCC(C(N)=O)C1)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(5-10(16)17)6-14-12(19)15-4-2-3-9(7-15)11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyIUUCXKBQRBZJIA-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.00
Rot. Bonds5

About 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 81072984) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
PubChem CID81072984
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)N1CCCC(C(N)=O)C1)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(5-10(16)17)6-14-12(19)15-4-2-3-9(7-15)11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyIUUCXKBQRBZJIA-UHFFFAOYSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81069884
4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81071213
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
4-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 81067824
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (CID 81072984) is 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is CC(CNC(=O)N1CCCC(C(N)=O)C1)CC(=O)O.
What is the InChIKey of 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is IUUCXKBQRBZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(5-10(16)17)6-14-12(19)15-4-2-3-9(7-15)11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17).
What are the key properties of 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 81072984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).