methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate

C12H23NO3 — CID 115123592

IUPACmethyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CNCC1CCCC1
InChIInChI=1S/C12H23NO3/c1-16-12(15)7-6-11(14)9-13-8-10-4-2-3-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyVUPHPHFPKISYGD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds7

About methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate

methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate (PubChem CID 115123592) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
PubChem CID115123592
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
SMILESCOC(=O)CCC(O)CNCC1CCCC1
InChIInChI=1S/C12H23NO3/c1-16-12(15)7-6-11(14)9-13-8-10-4-2-3-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyVUPHPHFPKISYGD-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883
methyl (4R)-4-hydroxy-5-(methylamino)pentanoate
CID 129125188
methyl 4-hydroxy-5-[(1-methylpyrrolidin-3-yl)amino]pentanoate
CID 115123524
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
methyl 4-cyclohexylpentanoate
CID 174916606
methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
CID 115123560
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate?
The IUPAC name of methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate (CID 115123592) is methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate.
What is the SMILES notation for methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate?
The canonical SMILES for methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate is COC(=O)CCC(O)CNCC1CCCC1.
What is the InChIKey of methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate?
The InChIKey is VUPHPHFPKISYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-16-12(15)7-6-11(14)9-13-8-10-4-2-3-5-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate?
methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate is sourced from PubChem (CID 115123592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).