methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate

C12H23NO3 — CID 62013260

IUPACmethyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C1CCCCC1O
InChIInChI=1S/C12H23NO3/c1-13(9-5-8-12(15)16-2)10-6-3-4-7-11(10)14/h10-11,14H,3-9H2,1-2H3
InChIKeyFMLPQXCAGFAPBC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds5

About methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate

methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate (PubChem CID 62013260) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
PubChem CID62013260
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C1CCCCC1O
InChIInChI=1S/C12H23NO3/c1-13(9-5-8-12(15)16-2)10-6-3-4-7-11(10)14/h10-11,14H,3-9H2,1-2H3
InChIKeyFMLPQXCAGFAPBC-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide
CID 102636707
4-[(2-hydroxycyclohexyl)-methylamino]butanehydrazide
CID 102638791
6-[(2-hydroxycyclohexyl)-methylamino]hexan-2-one
CID 102632920
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]butanoate
CID 63382843
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
cyclohexanol;dimethyl hexanedioate
CID 19805859
3-[(2-hydroxycyclohexyl)-methylamino]-N-propan-2-ylpropanamide
CID 102636283
methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate
CID 113330775
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
methyl 4-[cyclopentylmethyl(methyl)amino]butanoate
CID 62013646
2-[3-(cyclopropylamino)propyl-methylamino]cyclohexan-1-ol
CID 102636193

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate (CID 62013260) is methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate is COC(=O)CCCN(C)C1CCCCC1O.
What is the InChIKey of methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate?
The InChIKey is FMLPQXCAGFAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13(9-5-8-12(15)16-2)10-6-3-4-7-11(10)14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate?
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate is sourced from PubChem (CID 62013260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).