2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid

C13H25NO3 — CID 106675998

IUPAC2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
SMILESCOC(C)(C)CC(NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(2,17-3)9-11(12(15)16)14-10-7-5-4-6-8-10/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyIRXFKAPNESIJNR-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.18
Rot. Bonds6

About 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid

2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid (PubChem CID 106675998) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
PubChem CID106675998
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
SMILESCOC(C)(C)CC(NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-13(2,17-3)9-11(12(15)16)14-10-7-5-4-6-8-10/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyIRXFKAPNESIJNR-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
CID 106675996
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
(2R)-2-(cyclohexylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
CID 68551435
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65066289
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
2-(cyclopentylamino)pent-4-enoic acid
CID 82933340
4-O-tert-butyl 1-O-methyl (2R)-2-(cyclopentylamino)butanedioate
CID 66586454
4-O-tert-butyl 1-O-methyl 2-(cyclopentylamino)butanedioate
CID 66586456

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid?
The IUPAC name of 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid (CID 106675998) is 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid is COC(C)(C)CC(NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid?
The InChIKey is IRXFKAPNESIJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,17-3)9-11(12(15)16)14-10-7-5-4-6-8-10/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid?
2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid is sourced from PubChem (CID 106675998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).