1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid

C13H23N3O4 — CID 43171082

IUPAC1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-8(2)10(15-13(14)20)11(17)16-7-5-4-6-9(16)12(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)(H3,14,15,20)
InChIKeyQEJAOGMOMKUAFY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.54
Rot. Bonds5

About 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid

1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid (PubChem CID 43171082) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
PubChem CID43171082
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-8(2)10(15-13(14)20)11(17)16-7-5-4-6-9(16)12(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)(H3,14,15,20)
InChIKeyQEJAOGMOMKUAFY-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-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-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

(2S)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-2-carboxylic acid
CID 66263553
(2S)-1-[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 15511159
(2R)-1-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 145458956
(2S)-1-[(2S,3S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 71347488
1-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18492426
1-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 22702252
1-[2-[2-[(2-amino-3-carboxypropanoyl)amino]propanoylamino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18246700
1-[2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18484941
1-[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18742895
1-[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 22702646
1-[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22706313
1-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18249491

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid (CID 43171082) is 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid is CCC(C)C(NC(N)=O)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid?
The InChIKey is QEJAOGMOMKUAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-8(2)10(15-13(14)20)11(17)16-7-5-4-6-9(16)12(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)(H3,14,15,20).
What are the key properties of 1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid?
1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-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-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43171082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).