3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid

C11H19NO3 — CID 114897517

IUPAC3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C)CN(C(=O)C(C)C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(2)6-12(9-4-5-9)10(13)8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyDHSQMIYYUSGYRG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.35
Rot. Bonds5

About 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid

3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid (PubChem CID 114897517) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
PubChem CID114897517
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C)CN(C(=O)C(C)C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3/c1-7(2)6-12(9-4-5-9)10(13)8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyDHSQMIYYUSGYRG-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 61146341
2-chloro-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 60948501
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
3-[carboxymethyl(oxan-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 166239721
3-[ethyl-(2-methylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 122065947
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 76923943
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897698
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3-[(4-ethylcyclohexyl)-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897738
2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55001073

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid (CID 114897517) is 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid is CC(C)CN(C(=O)C(C)C(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
The InChIKey is DHSQMIYYUSGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)6-12(9-4-5-9)10(13)8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid?
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114897517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).