ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate

C15H29NO3 — CID 114197284

IUPACethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate
SMILESCCOC(=O)C(C)(N)CCOCC1CCCC(C)C1
InChIInChI=1S/C15H29NO3/c1-4-19-14(17)15(3,16)8-9-18-11-13-7-5-6-12(2)10-13/h12-13H,4-11,16H2,1-3H3
InChIKeyQHHVPSLAZLUGHG-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.50
Rot. Bonds7

About ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate

ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate (PubChem CID 114197284) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate
PubChem CID114197284
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate
SMILESCCOC(=O)C(C)(N)CCOCC1CCCC(C)C1
InChIInChI=1S/C15H29NO3/c1-4-19-14(17)15(3,16)8-9-18-11-13-7-5-6-12(2)10-13/h12-13H,4-11,16H2,1-3H3
InChIKeyQHHVPSLAZLUGHG-UHFFFAOYSA-N
XLogP2.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate 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-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol
CID 114197400
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate
CID 114197281
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
ethyl 2-amino-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55248054
ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate
CID 62332368
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
CID 66225205
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
cyclohexylmethyl 2-amino-2-methylbutanoate
CID 79799242
2-cyclopropyl-2-(methylamino)-3-[(3-methylcyclohexyl)methoxy]propanamide
CID 114197296
2-methyl-2-(methylamino)-5-[(3-methylcyclohexyl)methoxy]pentanenitrile
CID 114197267
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate?
The IUPAC name of ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate (CID 114197284) is ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate is CCOC(=O)C(C)(N)CCOCC1CCCC(C)C1.
What is the InChIKey of ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate?
The InChIKey is QHHVPSLAZLUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-19-14(17)15(3,16)8-9-18-11-13-7-5-6-12(2)10-13/h12-13H,4-11,16H2,1-3H3.
What are the key properties of ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate?
ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate has a molecular weight of 271.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate is sourced from PubChem (CID 114197284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).