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

C10H20N2O3 — CID 115179489

IUPAC2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
SMILESCC(C)CCCN(C)C(=O)C(N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)5-4-6-12(3)9(13)8(11)10(14)15/h7-8H,4-6,11H2,1-3H3,(H,14,15)
InChIKeyRSWYCGVYHVWSDH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.29
Rot. Bonds6

About 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid

2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid (PubChem CID 115179489) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
PubChem CID115179489
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
SMILESCC(C)CCCN(C)C(=O)C(N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)5-4-6-12(3)9(13)8(11)10(14)15/h7-8H,4-6,11H2,1-3H3,(H,14,15)
InChIKeyRSWYCGVYHVWSDH-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
methyl 3-methyl-2-[methyl(4-methylpentyl)carbamoyl]butanoate
CID 115188094
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
N-methyl-2-(methylaminomethyl)-N-(4-methylpentyl)butanamide
CID 115188981
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide
CID 138727866
2-amino-21-methyldocosanoic acid
CID 10926747

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
The IUPAC name of 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid (CID 115179489) is 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid is CC(C)CCCN(C)C(=O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
The InChIKey is RSWYCGVYHVWSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)5-4-6-12(3)9(13)8(11)10(14)15/h7-8H,4-6,11H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid?
2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 115179489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).