2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid

C14H26N2O3 — CID 79801680

IUPAC2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NCC1CCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-14(3,12(17)18)16-13(19)15-9-11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyCQHKVCWSODKMNP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds5

About 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid

2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid (PubChem CID 79801680) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
PubChem CID79801680
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NCC1CCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-14(3,12(17)18)16-13(19)15-9-11-8-6-5-7-10(11)2/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyCQHKVCWSODKMNP-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid
CID 103133669
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007
2-methyl-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114137834
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922
3-methoxy-2-methyl-2-[(2-methylcyclohexyl)methylamino]propanoic acid
CID 115002435
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
CID 107474794
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
CID 107416703
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
(E)-4-[(2-methylcyclohexyl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 55011790
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid (CID 79801680) is 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid is CCC(C)(NC(=O)NCC1CCCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The InChIKey is CQHKVCWSODKMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(3,12(17)18)16-13(19)15-9-11-8-6-5-7-10(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-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79801680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).