methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate

C13H25NO3 — CID 115123560

IUPACmethyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-14(11-6-4-3-5-7-11)10-12(15)8-9-13(16)17-2/h11-12,15H,3-10H2,1-2H3
InChIKeyLNFLTQPATVUDKL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.57
Rot. Bonds6

About methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate

methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate (PubChem CID 115123560) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
PubChem CID115123560
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-14(11-6-4-3-5-7-11)10-12(15)8-9-13(16)17-2/h11-12,15H,3-10H2,1-2H3
InChIKeyLNFLTQPATVUDKL-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-5-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123565
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
CID 82778087
methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
CID 115123592
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60704158
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
methyl 2-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
methyl 4-cyclohexylpentanoate
CID 174916606

Frequently Asked Questions

What is the IUPAC name of methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate?
The IUPAC name of methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate (CID 115123560) is methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate.
What is the SMILES notation for methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate?
The canonical SMILES for methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate is COC(=O)CCC(O)CN(C)C1CCCCC1.
What is the InChIKey of methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate?
The InChIKey is LNFLTQPATVUDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-14(11-6-4-3-5-7-11)10-12(15)8-9-13(16)17-2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate?
methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate is sourced from PubChem (CID 115123560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).