ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate

C15H29NO3 — CID 83041957

IUPACethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
SMILESCCCC(NCC1(O)CCC(C)CC1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-4-6-13(14(17)19-5-2)16-11-15(18)9-7-12(3)8-10-15/h12-13,16,18H,4-11H2,1-3H3
InChIKeyZEGHKNBLKLTEAC-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.25
Rot. Bonds7

About ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate

ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate (PubChem CID 83041957) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
PubChem CID83041957
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate
SMILESCCCC(NCC1(O)CCC(C)CC1)C(=O)OCC
InChIInChI=1S/C15H29NO3/c1-4-6-13(14(17)19-5-2)16-11-15(18)9-7-12(3)8-10-15/h12-13,16,18H,4-11H2,1-3H3
InChIKeyZEGHKNBLKLTEAC-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate 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

ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
CID 114756588
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]hexanoate
CID 103257015
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
ethyl 2-(propylamino)pentanoate
CID 21021838
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanamide
CID 65116289
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
ethyl 4-hydroxy-4-[(3-methylbutan-2-ylamino)methyl]cyclohexane-1-carboxylate
CID 106498918
ethyl 2-[(3,5-dimethylcyclohexyl)amino]pentanoate
CID 83042158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate?
The IUPAC name of ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate (CID 83041957) is ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate is CCCC(NCC1(O)CCC(C)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate?
The InChIKey is ZEGHKNBLKLTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-6-13(14(17)19-5-2)16-11-15(18)9-7-12(3)8-10-15/h12-13,16,18H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate?
ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate has a molecular weight of 271.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-4-methylcyclohexyl)methylamino]pentanoate is sourced from PubChem (CID 83041957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).