methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate

C12H23NO3 — CID 106360580

IUPACmethyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC1CCCC1CO
InChIInChI=1S/C12H23NO3/c1-12(2,11(15)16-3)8-13-10-6-4-5-9(10)7-14/h9-10,13-14H,4-8H2,1-3H3
InChIKeyHCNHENDZIFZQFD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.94
Rot. Bonds5

About methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate

methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate (PubChem CID 106360580) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
PubChem CID106360580
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC1CCCC1CO
InChIInChI=1S/C12H23NO3/c1-12(2,11(15)16-3)8-13-10-6-4-5-9(10)7-14/h9-10,13-14H,4-8H2,1-3H3
InChIKeyHCNHENDZIFZQFD-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]-2-methylpropane-1,3-diol
CID 106360962
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
CID 106360920
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methanol
CID 106359409
3-[(2-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 106274861
tert-butyl 4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 103766002
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 104934416

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate (CID 106360580) is methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC1CCCC1CO.
What is the InChIKey of methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate?
The InChIKey is HCNHENDZIFZQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,11(15)16-3)8-13-10-6-4-5-9(10)7-14/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate?
methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 106360580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).