2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid

C14H25NO4 — CID 107175397

IUPAC2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-14(2)8-5-4-6-10(14)12(16)15-11(13(17)18)7-9-19-3/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLMCJILUBTFVTPH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.81
Rot. Bonds6

About 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid

2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid (PubChem CID 107175397) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid
PubChem CID107175397
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CCCCC1(C)C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-14(2)8-5-4-6-10(14)12(16)15-11(13(17)18)7-9-19-3/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyLMCJILUBTFVTPH-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 112734984
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 107175022
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360
2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 114226173
2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
CID 120702696
N-(2-methoxyethoxy)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918028
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid (CID 107175397) is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)C1CCCCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is LMCJILUBTFVTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2)8-5-4-6-10(14)12(16)15-11(13(17)18)7-9-19-3/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid?
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 107175397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).