3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid

C9H18N2O3 — CID 64895078

IUPAC3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCC(C)CN(C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)5-11(3)9(14)7(10)4-8(12)13/h6-7H,4-5,10H2,1-3H3,(H,12,13)
InChIKeyGAVORLSCBPUTLP-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.10
Rot. Bonds5

About 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid

3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid (PubChem CID 64895078) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid
PubChem CID64895078
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid
SMILESCC(C)CN(C)C(=O)C(N)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)5-11(3)9(14)7(10)4-8(12)13/h6-7H,4-5,10H2,1-3H3,(H,12,13)
InChIKeyGAVORLSCBPUTLP-UHFFFAOYSA-N
XLogP-0.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64896709
3-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-oxobutanoic acid
CID 64895957
3-amino-4-[2-methylpropyl(pentan-3-yl)amino]-4-oxobutanoic acid
CID 79490276
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
3-amino-4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoic acid
CID 64895138
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
2-bromo-N-methyl-N-(2-methylpropyl)propanamide
CID 107903182
3-amino-2-hydroxy-N-methyl-N-(2-methylpropyl)propanamide
CID 115180349
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
CID 104904051
4-[1-adamantylmethyl(methyl)amino]-3-amino-4-oxobutanoic acid
CID 64894362
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid (CID 64895078) is 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid is CC(C)CN(C)C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is GAVORLSCBPUTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)5-11(3)9(14)7(10)4-8(12)13/h6-7H,4-5,10H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid?
3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64895078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).