2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid

C10H19NO3 — CID 103495830

IUPAC2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)C(C)C
InChIInChI=1S/C10H19NO3/c1-6(2)11(5)9(12)7(3)8(4)10(13)14/h6-8H,1-5H3,(H,13,14)
InChIKeyNVEMMMSRLRVWHB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.21
Rot. Bonds4

About 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid

2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid (PubChem CID 103495830) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
PubChem CID103495830
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)C(C)C
InChIInChI=1S/C10H19NO3/c1-6(2)11(5)9(12)7(3)8(4)10(13)14/h6-8H,1-5H3,(H,13,14)
InChIKeyNVEMMMSRLRVWHB-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 59641758
4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495906
4-[cyclopropyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495905
2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid
CID 103495923
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
benzene;methyl(propan-2-yl)carbamic acid
CID 174351923
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
4-[butan-2-yl(ethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495920
2,3-dimethyl-4-oxopentanoic acid
CID 15560603
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid (CID 103495830) is 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is NVEMMMSRLRVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)11(5)9(12)7(3)8(4)10(13)14/h6-8H,1-5H3,(H,13,14).
What are the key properties of 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid?
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103495830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).