(1-aminocyclopropyl) acetate;hydrochloride

C5H10ClNO2 — CID 118035296

IUPAC(1-aminocyclopropyl) acetate;hydrochloride
SMILESCC(=O)OC1(N)CC1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4(7)8-5(6)2-3-5;/h2-3,6H2,1H3;1H
InChIKeyNXPKFIYQAFKHTK-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.42
Rot. Bonds1

About (1-aminocyclopropyl) acetate;hydrochloride

(1-aminocyclopropyl) acetate;hydrochloride (PubChem CID 118035296) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is (1-aminocyclopropyl) acetate;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl) acetate;hydrochloride
PubChem CID118035296
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name(1-aminocyclopropyl) acetate;hydrochloride
SMILESCC(=O)OC1(N)CC1.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4(7)8-5(6)2-3-5;/h2-3,6H2,1H3;1H
InChIKeyNXPKFIYQAFKHTK-UHFFFAOYSA-N
XLogP0.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclopropyl) hydrogen carbonate
CID 23070284
(4-aminocuban-1-yl) acetate;hydrochloride
CID 174876114
(1-aminocyclohexyl) carbamate;hydrochloride
CID 143520361
(1-sulfanylcyclopropyl) acetate
CID 90315897
(1-methylcyclobutyl) acetate
CID 13396130
(1-formylcyclopropyl) acetate
CID 155705215
(1-aminocyclopropyl)methyl acetate
CID 150213578
(1-hydroxycyclooctyl) acetate
CID 91039609
potassium;(1-formylcyclopropyl) acetate;hydride
CID 175076174
(1-prop-1-en-2-ylcyclopentyl) acetate
CID 12721513
(1-tert-butylcyclopentyl) acetate
CID 58430277
(1-propan-2-ylcyclopentyl) acetate
CID 58143154

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl) acetate;hydrochloride?
The IUPAC name of (1-aminocyclopropyl) acetate;hydrochloride (CID 118035296) is (1-aminocyclopropyl) acetate;hydrochloride.
What is the SMILES notation for (1-aminocyclopropyl) acetate;hydrochloride?
The canonical SMILES for (1-aminocyclopropyl) acetate;hydrochloride is CC(=O)OC1(N)CC1.Cl.
What is the InChIKey of (1-aminocyclopropyl) acetate;hydrochloride?
The InChIKey is NXPKFIYQAFKHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-4(7)8-5(6)2-3-5;/h2-3,6H2,1H3;1H.
What are the key properties of (1-aminocyclopropyl) acetate;hydrochloride?
(1-aminocyclopropyl) acetate;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl) acetate;hydrochloride is sourced from PubChem (CID 118035296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).