1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C12H21N3O4 — CID 106744558

IUPAC1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(CC(N)=O)NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H21N3O4/c1-7(5-10(13)16)14-12(19)15-4-3-9(11(17)18)6-8(15)2/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeySRUZXKFWQAPWNC-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.14
Rot. Bonds4

About 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744558) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744558
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(CC(N)=O)NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H21N3O4/c1-7(5-10(13)16)14-12(19)15-4-3-9(11(17)18)6-8(15)2/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeySRUZXKFWQAPWNC-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic 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-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744109
1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744100
2-methyl-1-(octan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744119
1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741731
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173067
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
1-(2-cyclopropylpropylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744532
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744558) is 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CC(CC(N)=O)NC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is SRUZXKFWQAPWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-7(5-10(13)16)14-12(19)15-4-3-9(11(17)18)6-8(15)2/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).