methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate

C12H23NO2 — CID 115233257

IUPACmethyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
SMILESCOC(=O)CNCC(C)(C)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,10-6-4-5-7-10)9-13-8-11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeyJNXSJBWBBWVFBY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate

methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate (PubChem CID 115233257) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
PubChem CID115233257
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
SMILESCOC(=O)CNCC(C)(C)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,10-6-4-5-7-10)9-13-8-11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeyJNXSJBWBBWVFBY-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
CID 115233259
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
CID 115128640
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239975
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
CID 115240315
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate
CID 106276443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate?
The IUPAC name of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate (CID 115233257) is methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate is COC(=O)CNCC(C)(C)C1CCCC1.
What is the InChIKey of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate?
The InChIKey is JNXSJBWBBWVFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,10-6-4-5-7-10)9-13-8-11(14)15-3/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate?
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate has a molecular weight of 213.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate is sourced from PubChem (CID 115233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).