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

C12H21N3O4 — CID 113416458

IUPAC3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N1CCC(C(N)=O)CC1)C(C)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-7(11(17)18)8(2)14-12(19)15-5-3-9(4-6-15)10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyOAORSKVYFCHMJV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.00
Rot. Bonds4

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

3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 113416458) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID113416458
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)N1CCC(C(N)=O)CC1)C(C)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-7(11(17)18)8(2)14-12(19)15-5-3-9(4-6-15)10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyOAORSKVYFCHMJV-UHFFFAOYSA-N
XLogP0.00
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 106670735
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686059
(2S)-4-amino-4-oxo-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 103500595
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2S,3S)-2-[(4-aminopiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61402964
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266358
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103357102

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 113416458) is 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CC(NC(=O)N1CCC(C(N)=O)CC1)C(C)C(=O)O.
What is the InChIKey of 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is OAORSKVYFCHMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7(11(17)18)8(2)14-12(19)15-5-3-9(4-6-15)10(13)16/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 113416458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).