2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid

C13H24N2O3 — CID 79800935

IUPAC2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-7-13(6,9(16)17)15-10(18)14-8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H,16,17)(H2,14,15,18)
InChIKeyOLHNEOHNSUIYNP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds4

About 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid

2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid (PubChem CID 79800935) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid
PubChem CID79800935
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-7-13(6,9(16)17)15-10(18)14-8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H,16,17)(H2,14,15,18)
InChIKeyOLHNEOHNSUIYNP-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
CID 115428933
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801707
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid (CID 79800935) is 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid is CCC(C)(NC(=O)NC1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid?
The InChIKey is OLHNEOHNSUIYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-7-13(6,9(16)17)15-10(18)14-8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid?
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 79800935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).