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

C11H20N2O3 — CID 81162794

IUPAC1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)CN(C)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)7-13(3)10(16)12-11(9(14)15)5-4-6-11/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyRVUQKZLOLHZYIE-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

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

1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81162794) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81162794
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)CN(C)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)7-13(3)10(16)12-11(9(14)15)5-4-6-11/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyRVUQKZLOLHZYIE-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61294474
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
1-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 113426147
1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163350
1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61201945

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid (CID 81162794) is 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is CC(C)CN(C)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is RVUQKZLOLHZYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)7-13(3)10(16)12-11(9(14)15)5-4-6-11/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).