2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid

C14H26N2O3 — CID 79801007

IUPAC2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1CCCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-14(3,12(17)18)16-13(19)15-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyZUYSPRFRMGZBSM-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid

2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid (PubChem CID 79801007) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
PubChem CID79801007
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1CCCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-14(3,12(17)18)16-13(19)15-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyZUYSPRFRMGZBSM-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 65266273
3-methyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 64702589
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
CID 61339773
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid (CID 79801007) is 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid is CCC(C)(NC(=O)NC1CCCCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
The InChIKey is ZUYSPRFRMGZBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(3,12(17)18)16-13(19)15-11-9-7-5-6-8-10(11)2/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.51, 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-methylcycloheptyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 79801007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).