methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate

C13H25NO2 — CID 115536847

IUPACmethyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
SMILESCCC(CC)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-4-11(5-2)14(10-13(15)16-3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyLIANMXNDKMFGKI-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.59
Rot. Bonds6

About methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate

methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate (PubChem CID 115536847) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
PubChem CID115536847
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
SMILESCCC(CC)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-4-11(5-2)14(10-13(15)16-3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyLIANMXNDKMFGKI-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N,N-dipentyl-, ethyl ester
CID 96116
Methyl 2-(cyclopentylamino)acetate
CID 22080509
2-[Cyclopentyl(methyl)amino]acetic acid
CID 28064656
Methyl alpha-methyl-1-piperidineacetate
CID 12957458
2-[Cyclopentyl(methyl)amino]acetic acid hydrochloride
CID 137318121
N,N-dibutylglycine methyl ester
CID 13879346
Ethyl N-cyclohexyl-N-methylglycinate
CID 22200524
Ethyl 2-[(2-cyanoethyl)(cyclopentyl)amino]acetate
CID 47002684
Methyl 2-(4-cyclopentyl-1,4-diazepan-1-yl)acetate
CID 72006206
Methyl 2-[cyclohexyl(methyl)amino]acetate
CID 13040611
N,N-Dicyclopentylglycine ethyl ester
CID 13010790
Methyl 2-[cyclopentyl(2,2,2-trifluoroethyl)amino]acetate
CID 71917532

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate (CID 115536847) is methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate is CCC(CC)N(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate?
The InChIKey is LIANMXNDKMFGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11(5-2)14(10-13(15)16-3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate?
methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate is sourced from PubChem (CID 115536847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).