1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid

C10H16N2O4 — CID 62097163

IUPAC1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(NC(=O)C1(C(=O)O)CCC1)C(N)=O
InChIInChI=1S/C10H16N2O4/c1-9(2,6(11)13)12-7(14)10(8(15)16)4-3-5-10/h3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyAMWFCGNDKSAFDY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.38
Rot. Bonds4

About 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62097163) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62097163
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(NC(=O)C1(C(=O)O)CCC1)C(N)=O
InChIInChI=1S/C10H16N2O4/c1-9(2,6(11)13)12-7(14)10(8(15)16)4-3-5-10/h3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKeyAMWFCGNDKSAFDY-UHFFFAOYSA-N
XLogP-0.38
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62097163) is 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid is CC(C)(NC(=O)C1(C(=O)O)CCC1)C(N)=O.
What is the InChIKey of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is AMWFCGNDKSAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-9(2,6(11)13)12-7(14)10(8(15)16)4-3-5-10/h3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16).
What are the key properties of 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).