3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid

C10H19NO3 — CID 115163571

IUPAC3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
SMILESCC(C)CCCN(C)C(=O)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-8(2)5-4-6-11(3)9(12)7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyQPGYODQPHFZRIO-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.36
Rot. Bonds6

About 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid

3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid (PubChem CID 115163571) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
PubChem CID115163571
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
SMILESCC(C)CCCN(C)C(=O)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-8(2)5-4-6-11(3)9(12)7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyQPGYODQPHFZRIO-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic 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

N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
CID 166733349
2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115179489
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid (CID 115163571) is 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid is CC(C)CCCN(C)C(=O)CC(=O)O.
What is the InChIKey of 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
The InChIKey is QPGYODQPHFZRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)5-4-6-11(3)9(12)7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 115163571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).