2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid

C13H26N2O3 — CID 104686265

IUPAC2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)N(C)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-7-11(3)15(4)13(18)14-9-6-8-10(2)12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyYPMCHCGHVGJVHN-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds8

About 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid

2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid (PubChem CID 104686265) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
PubChem CID104686265
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)N(C)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-7-11(3)15(4)13(18)14-9-6-8-10(2)12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyYPMCHCGHVGJVHN-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic 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

5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220
5-[[butan-2-yl(ethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686221
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 65223613
2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
CID 104686710
2-methyl-5-(pentanoylamino)pentanoic acid
CID 104682493
5-[bis(prop-2-enyl)carbamoylamino]-2-methylpentanoic acid
CID 113441173
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686485
5-(butoxycarbonylamino)-2-methylpentanoic acid
CID 87521921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid (CID 104686265) is 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid is CCCC(C)N(C)C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is YPMCHCGHVGJVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-7-11(3)15(4)13(18)14-9-6-8-10(2)12(16)17/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid?
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 104686265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).