propyl 2-(1-aminocyclobutyl)acetate

C9H17NO2 — CID 79846380

IUPACpropyl 2-(1-aminocyclobutyl)acetate
SMILESCCCOC(=O)CC1(N)CCC1
InChIInChI=1S/C9H17NO2/c1-2-6-12-8(11)7-9(10)4-3-5-9/h2-7,10H2,1H3
InChIKeyBUBGIVNJZUFLFM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds4

About propyl 2-(1-aminocyclobutyl)acetate

propyl 2-(1-aminocyclobutyl)acetate (PubChem CID 79846380) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propyl 2-(1-aminocyclobutyl)acetate.

Molecular Properties

Compound Namepropyl 2-(1-aminocyclobutyl)acetate
PubChem CID79846380
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropyl 2-(1-aminocyclobutyl)acetate
SMILESCCCOC(=O)CC1(N)CCC1
InChIInChI=1S/C9H17NO2/c1-2-6-12-8(11)7-9(10)4-3-5-9/h2-7,10H2,1H3
InChIKeyBUBGIVNJZUFLFM-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate
CID 106448206
2-(1-aminocyclobutyl)-1-(4-propoxyphenyl)ethanone
CID 116591254
3-phenylpropyl 2-(1-aminocyclobutyl)acetate
CID 79845366
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
1-propoxycarbonylcyclobutane-1-carboxylic acid
CID 90449505
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
butan-2-yl 2-(1-aminocyclopentyl)acetate
CID 64701975
4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
CID 79845276
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
2-(1-aminocyclobutyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82966068

Frequently Asked Questions

What is the IUPAC name of propyl 2-(1-aminocyclobutyl)acetate?
The IUPAC name of propyl 2-(1-aminocyclobutyl)acetate (CID 79846380) is propyl 2-(1-aminocyclobutyl)acetate.
What is the SMILES notation for propyl 2-(1-aminocyclobutyl)acetate?
The canonical SMILES for propyl 2-(1-aminocyclobutyl)acetate is CCCOC(=O)CC1(N)CCC1.
What is the InChIKey of propyl 2-(1-aminocyclobutyl)acetate?
The InChIKey is BUBGIVNJZUFLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-6-12-8(11)7-9(10)4-3-5-9/h2-7,10H2,1H3.
What are the key properties of propyl 2-(1-aminocyclobutyl)acetate?
propyl 2-(1-aminocyclobutyl)acetate has a molecular weight of 171.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(1-aminocyclobutyl)acetate is sourced from PubChem (CID 79846380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).