1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid

C9H16N2O3 — CID 81161173

IUPAC1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(N)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H16N2O3/c1-8(2,10)6(12)11-9(7(13)14)4-3-5-9/h3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYSCWLRSOLAWANC-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.15
Rot. Bonds3

About 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid

1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81161173) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81161173
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
SMILESCC(C)(N)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H16N2O3/c1-8(2,10)6(12)11-9(7(13)14)4-3-5-9/h3-5,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYSCWLRSOLAWANC-UHFFFAOYSA-N
XLogP-0.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 61158529
1-[[2-methyl-2-(methylamino)propanoyl]amino]cycloheptane-1-carboxylic acid
CID 62846183
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 80547816
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
CID 62550986
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-[[(E)-4,4-dimethylpent-2-enoyl]amino]cyclobutane-1-carboxylic acid
CID 115910186
1-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 107472477
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid (CID 81161173) is 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid is CC(C)(N)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is YSCWLRSOLAWANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-8(2,10)6(12)11-9(7(13)14)4-3-5-9/h3-5,10H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81161173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).