methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate

C12H23NO3 — CID 65213091

IUPACmethyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC1(O)CCCC1
InChIInChI=1S/C12H23NO3/c1-10(11(14)16-3)8-13(2)9-12(15)6-4-5-7-12/h10,15H,4-9H2,1-3H3
InChIKeyLKMDONDPVOBXGY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds5

About methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate

methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate (PubChem CID 65213091) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
PubChem CID65213091
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC1(O)CCCC1
InChIInChI=1S/C12H23NO3/c1-10(11(14)16-3)8-13(2)9-12(15)6-4-5-7-12/h10,15H,4-9H2,1-3H3
InChIKeyLKMDONDPVOBXGY-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
CID 114950146
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952421
methyl 2-bromo-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanoate
CID 114950227
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(5-methylhexan-2-yl)acetamide
CID 115758566
methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952397
1-[[methyl-[2-(propan-2-ylamino)ethyl]amino]methyl]cyclopentan-1-ol
CID 114952468
methyl 2-methyl-3-[methyl(4-methylpentyl)amino]propanoate
CID 83160882
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoate
CID 115448160

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate (CID 65213091) is methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC1(O)CCCC1.
What is the InChIKey of methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate?
The InChIKey is LKMDONDPVOBXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(11(14)16-3)8-13(2)9-12(15)6-4-5-7-12/h10,15H,4-9H2,1-3H3.
What are the key properties of methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate?
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 65213091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).