3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid

C11H19NO3 — CID 122066546

IUPAC3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid
SMILESCC(CCC1CC1)NC(=O)C(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(3-4-9-5-6-9)12-10(13)8(2)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMBGUQSIKZQSLMZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds6

About 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid

3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid (PubChem CID 122066546) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid
PubChem CID122066546
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid
SMILESCC(CCC1CC1)NC(=O)C(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(3-4-9-5-6-9)12-10(13)8(2)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMBGUQSIKZQSLMZ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
(2S)-2-amino-N-(4-cyclohexylbutan-2-yl)-3-methylbutanamide
CID 119327911
2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
CID 122039580
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215
2-methyl-3-oxo-3-(1-piperidin-1-ylpropan-2-ylamino)propanoic acid
CID 114898104
4-(4-fluorocyclohexyl)-2-methylbutanoic acid
CID 84733885
4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498677
N-(4-cyclopentylbutan-2-yl)but-2-ynamide
CID 122159956
2-[2-(4-cyclohexylbutan-2-ylamino)-2-oxoethoxy]acetic acid
CID 20558858
2-amino-N-(4-cyclohexylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793833
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid (CID 122066546) is 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid is CC(CCC1CC1)NC(=O)C(C)C(=O)O.
What is the InChIKey of 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid?
The InChIKey is MBGUQSIKZQSLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(3-4-9-5-6-9)12-10(13)8(2)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid?
3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 122066546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).