4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid

C11H19NO3 — CID 103498677

IUPAC4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCCC1CC1
InChIInChI=1S/C11H19NO3/c1-7(8(2)11(14)15)10(13)12-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCZIZJDFJZPCLTF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds6

About 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid

4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498677) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498677
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCCC1CC1
InChIInChI=1S/C11H19NO3/c1-7(8(2)11(14)15)10(13)12-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCZIZJDFJZPCLTF-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
2-(2-cyclohexylethylcarbamoyl)-3-methylbutanoic acid
CID 115186283
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
N-(2-cyclobutylethyl)-2,2-difluoroacetamide
CID 103516050
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
3-(2-cyclohexylethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189528
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 106120319

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid (CID 103498677) is 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NCCC1CC1.
What is the InChIKey of 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is CZIZJDFJZPCLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(8(2)11(14)15)10(13)12-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid?
4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).