(1-amino-2-propylcyclopropyl) acetate

C8H15NO2 — CID 174614626

IUPAC(1-amino-2-propylcyclopropyl) acetate
SMILESCCCC1CC1(N)OC(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-7-5-8(7,9)11-6(2)10/h7H,3-5,9H2,1-2H3
InChIKeyUBYMFSIPSAITKK-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds3

About (1-amino-2-propylcyclopropyl) acetate

(1-amino-2-propylcyclopropyl) acetate (PubChem CID 174614626) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1-amino-2-propylcyclopropyl) acetate.

Molecular Properties

Compound Name(1-amino-2-propylcyclopropyl) acetate
PubChem CID174614626
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1-amino-2-propylcyclopropyl) acetate
SMILESCCCC1CC1(N)OC(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-7-5-8(7,9)11-6(2)10/h7H,3-5,9H2,1-2H3
InChIKeyUBYMFSIPSAITKK-UHFFFAOYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
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

diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide
CID 89087951
1-tert-butyl-2-propylcyclopropan-1-amine
CID 79332831
(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate
CID 68741110
3-(1-propan-2-yl-2-propylcyclopropyl)butan-2-one
CID 165006917
1-amino-2-propylcyclohexane-1-carboxylic acid
CID 121281708
diethyl 2-(2-acetyloxy-2-bicyclo[2.2.1]heptanyl)butanedioate
CID 15569706
(4-propylthietan-2-yl) acetate
CID 118481871
sodium;1-adamantyl acetate;hydride
CID 174617949
1-butyl-2-propylcyclopropan-1-amine
CID 79411808
1,1-dibromo-2-propylcyclopropane
CID 13198577

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-propylcyclopropyl) acetate?
The IUPAC name of (1-amino-2-propylcyclopropyl) acetate (CID 174614626) is (1-amino-2-propylcyclopropyl) acetate.
What is the SMILES notation for (1-amino-2-propylcyclopropyl) acetate?
The canonical SMILES for (1-amino-2-propylcyclopropyl) acetate is CCCC1CC1(N)OC(C)=O.
What is the InChIKey of (1-amino-2-propylcyclopropyl) acetate?
The InChIKey is UBYMFSIPSAITKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-7-5-8(7,9)11-6(2)10/h7H,3-5,9H2,1-2H3.
What are the key properties of (1-amino-2-propylcyclopropyl) acetate?
(1-amino-2-propylcyclopropyl) acetate has a molecular weight of 157.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-propylcyclopropyl) acetate is sourced from PubChem (CID 174614626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).