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

C13H23N3O4 — CID 114430556

IUPAC1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC(C)CC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-3-9-4-5-16(10(7-9)12(18)19)13(20)15-8(2)6-11(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyFDVBCXVWIYURCX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds5

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

1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114430556) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114430556
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC(C)CC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-3-9-4-5-16(10(7-9)12(18)19)13(20)15-8(2)6-11(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyFDVBCXVWIYURCX-UHFFFAOYSA-N
XLogP0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-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

1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
4-ethyl-1-(4-methylsulfinylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 114430547
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744558
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430528
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430249
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-ethylpiperidine-2-carboxylic acid
CID 114431702
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229
1-(5-amino-2-methylpentanoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429643
4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114430536

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (CID 114430556) is 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)NC(C)CC(N)=O)C(C(=O)O)C1.
What is the InChIKey of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is FDVBCXVWIYURCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-9-4-5-16(10(7-9)12(18)19)13(20)15-8(2)6-11(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.54, 5 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]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114430556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).