(1-aminocyclopropyl)methyl acetate

C6H11NO2 — CID 150213578

IUPAC(1-aminocyclopropyl)methyl acetate
SMILESCC(=O)OCC1(N)CC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-4-6(7)2-3-6/h2-4,7H2,1H3
InChIKeyFRZQAYDXPQRSBY-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.04
Rot. Bonds2

About (1-aminocyclopropyl)methyl acetate

(1-aminocyclopropyl)methyl acetate (PubChem CID 150213578) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (1-aminocyclopropyl)methyl acetate.

Molecular Properties

Compound Name(1-aminocyclopropyl)methyl acetate
PubChem CID150213578
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(1-aminocyclopropyl)methyl acetate
SMILESCC(=O)OCC1(N)CC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-4-6(7)2-3-6/h2-4,7H2,1H3
InChIKeyFRZQAYDXPQRSBY-UHFFFAOYSA-N
XLogP0.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483
(1-tert-butylcyclopropyl)methyl acetate
CID 89402636
[1-(sulfanylmethyl)cyclopropyl]methyl acetate
CID 150919960
(1-aminocyclopentyl)methyl 2-methylpropyl carbonate
CID 79337036
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960
(1-prop-1-en-2-ylcyclobutyl)methyl acetate
CID 154240293
(1-tert-butylcyclopentyl)methyl acetate
CID 21363579
(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
[1-(acetyloxymethyl)-2,2-bis(bromomethyl)cyclopropyl]methyl acetate
CID 66996923
(1-aminocyclohexyl)methyl N,N-diethylcarbamate
CID 79338374
(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
CID 156768140

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)methyl acetate?
The IUPAC name of (1-aminocyclopropyl)methyl acetate (CID 150213578) is (1-aminocyclopropyl)methyl acetate.
What is the SMILES notation for (1-aminocyclopropyl)methyl acetate?
The canonical SMILES for (1-aminocyclopropyl)methyl acetate is CC(=O)OCC1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)methyl acetate?
The InChIKey is FRZQAYDXPQRSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)9-4-6(7)2-3-6/h2-4,7H2,1H3.
What are the key properties of (1-aminocyclopropyl)methyl acetate?
(1-aminocyclopropyl)methyl acetate has a molecular weight of 129.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)methyl acetate is sourced from PubChem (CID 150213578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).