3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

C14H25N3O4 — CID 65263596

IUPAC3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)N1CCCCC1C(N)=O)C(C)(C)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-13(2,11(19)20)14(3,4)16-12(21)17-8-6-5-7-9(17)10(15)18/h9H,5-8H2,1-4H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyYAOOGJLOWDEEJC-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.93
Rot. Bonds4

About 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65263596) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65263596
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)N1CCCCC1C(N)=O)C(C)(C)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-13(2,11(19)20)14(3,4)16-12(21)17-8-6-5-7-9(17)10(15)18/h9H,5-8H2,1-4H3,(H2,15,18)(H,16,21)(H,19,20)
InChIKeyYAOOGJLOWDEEJC-UHFFFAOYSA-N
XLogP0.93
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023
2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 65265276
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266358
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648
4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001227
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65263657
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 65263596) is 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)N1CCCCC1C(N)=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is YAOOGJLOWDEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-13(2,11(19)20)14(3,4)16-12(21)17-8-6-5-7-9(17)10(15)18/h9H,5-8H2,1-4H3,(H2,15,18)(H,16,21)(H,19,20).
What are the key properties of 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65263596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).