methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate

C11H19NO3 — CID 142068659

IUPACmethyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
SMILESCOC(=O)CC1(CNC(C)=O)CCCC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-8-11(5-3-4-6-11)7-10(14)15-2/h3-8H2,1-2H3,(H,12,13)
InChIKeySIGFEKZMWRSSTF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate

methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate (PubChem CID 142068659) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
PubChem CID142068659
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
SMILESCOC(=O)CC1(CNC(C)=O)CCCC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-8-11(5-3-4-6-11)7-10(14)15-2/h3-8H2,1-2H3,(H,12,13)
InChIKeySIGFEKZMWRSSTF-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
methyl 3-[1-(2-methoxy-2-oxoethyl)cyclohexyl]-2-oxopropanoate
CID 10467590
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
methyl 2-[1-[(1-adamantylcarbamoylamino)methyl]cyclohexyl]acetate
CID 59053507
methyl 2-(1-prop-2-enylcyclohexyl)acetate
CID 67656256
methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
CID 19883848
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide
CID 161460753
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate?
The IUPAC name of methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate (CID 142068659) is methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate is COC(=O)CC1(CNC(C)=O)CCCC1.
What is the InChIKey of methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate?
The InChIKey is SIGFEKZMWRSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)12-8-11(5-3-4-6-11)7-10(14)15-2/h3-8H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate?
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate is sourced from PubChem (CID 142068659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).