2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid

C8H14N2O3 — CID 115179269

IUPAC2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid
SMILESCN(C(=O)C(N)C(=O)O)C1CCC1
InChIInChI=1S/C8H14N2O3/c1-10(5-3-2-4-5)7(11)6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)
InChIKeyYDRXBUBPBICNPA-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.59
Rot. Bonds3

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

2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid (PubChem CID 115179269) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid
PubChem CID115179269
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid
SMILESCN(C(=O)C(N)C(=O)O)C1CCC1
InChIInChI=1S/C8H14N2O3/c1-10(5-3-2-4-5)7(11)6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)
InChIKeyYDRXBUBPBICNPA-UHFFFAOYSA-N
XLogP-0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
(2S)-2-amino-N-cyclobutyl-3-hydroxy-N-methylpropanamide
CID 70338344
3-amino-4-[cyclopentyl(methyl)amino]-4-oxobutanoic acid
CID 64894882
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
(2S)-2-amino-N-cyclobutyl-N-methyl-2-(4-methylcyclohexyl)acetamide
CID 70337039
(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
CID 119275217

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid?
The IUPAC name of 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid (CID 115179269) is 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid is CN(C(=O)C(N)C(=O)O)C1CCC1.
What is the InChIKey of 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid?
The InChIKey is YDRXBUBPBICNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10(5-3-2-4-5)7(11)6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid?
2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclobutyl(methyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 115179269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).