methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate

C12H23NO3 — CID 79623676

IUPACmethyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCC1(O)CCCC1
InChIInChI=1S/C12H23NO3/c1-11(2,10(14)16-3)8-13-9-12(15)6-4-5-7-12/h13,15H,4-9H2,1-3H3
InChIKeySZLFYDRNIKPCPY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds5

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

methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate (PubChem CID 79623676) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
PubChem CID79623676
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCC1(O)CCCC1
InChIInChI=1S/C12H23NO3/c1-11(2,10(14)16-3)8-13-9-12(15)6-4-5-7-12/h13,15H,4-9H2,1-3H3
InChIKeySZLFYDRNIKPCPY-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
CID 106254028
2-[(1-hydroxycyclopentyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899466
1-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]cyclopentan-1-ol
CID 65210742
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 115664275
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 106246909
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789332

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate (CID 79623676) is methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNCC1(O)CCCC1.
What is the InChIKey of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate?
The InChIKey is SZLFYDRNIKPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,10(14)16-3)8-13-9-12(15)6-4-5-7-12/h13,15H,4-9H2,1-3H3.
What are the key properties of methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate?
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79623676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).