ethyl 3-(1-amino-2-oxocyclopropyl)propanoate

C8H13NO3 — CID 57247494

IUPACethyl 3-(1-amino-2-oxocyclopropyl)propanoate
SMILESCCOC(=O)CCC1(N)CC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-7(11)3-4-8(9)5-6(8)10/h2-5,9H2,1H3
InChIKeyRFYKXGRADILXBR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.00
Rot. Bonds4

About ethyl 3-(1-amino-2-oxocyclopropyl)propanoate

ethyl 3-(1-amino-2-oxocyclopropyl)propanoate (PubChem CID 57247494) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 3-(1-amino-2-oxocyclopropyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-amino-2-oxocyclopropyl)propanoate
PubChem CID57247494
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 3-(1-amino-2-oxocyclopropyl)propanoate
SMILESCCOC(=O)CCC1(N)CC1=O
InChIInChI=1S/C8H13NO3/c1-2-12-7(11)3-4-8(9)5-6(8)10/h2-5,9H2,1H3
InChIKeyRFYKXGRADILXBR-UHFFFAOYSA-N
XLogP0.00
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(1-amino-2-oxocyclopropyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
ethyl 3-(1,2,2-tribromocyclopropyl)propanoate
CID 67374723
ethyl 3-(1-methylsulfanyl-2-oxocyclohexyl)propanoate
CID 14949769
ethyl 3-(2-methyl-1,3-dithiolan-2-yl)propanoate
CID 576648
ethyl 3-(1-nitro-2-oxocyclohexyl)propanoate
CID 11806838
ethyl 3-[(1R)-1,2,2-trifluorocyclobutyl]propanoate
CID 162539585
ethyl butanoate
CID 7762
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl 5-[(1R,3R)-1,3-dimethyl-5-oxocyclohexyl]pentanoate
CID 101036976
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
ethyl 3-[(4aS)-4,7-dioxo-2,3,5,6-tetrahydro-1H-naphthalen-4a-yl]propanoate
CID 138975493

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-amino-2-oxocyclopropyl)propanoate?
The IUPAC name of ethyl 3-(1-amino-2-oxocyclopropyl)propanoate (CID 57247494) is ethyl 3-(1-amino-2-oxocyclopropyl)propanoate.
What is the SMILES notation for ethyl 3-(1-amino-2-oxocyclopropyl)propanoate?
The canonical SMILES for ethyl 3-(1-amino-2-oxocyclopropyl)propanoate is CCOC(=O)CCC1(N)CC1=O.
What is the InChIKey of ethyl 3-(1-amino-2-oxocyclopropyl)propanoate?
The InChIKey is RFYKXGRADILXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-12-7(11)3-4-8(9)5-6(8)10/h2-5,9H2,1H3.
What are the key properties of ethyl 3-(1-amino-2-oxocyclopropyl)propanoate?
ethyl 3-(1-amino-2-oxocyclopropyl)propanoate has a molecular weight of 171.20 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-amino-2-oxocyclopropyl)propanoate is sourced from PubChem (CID 57247494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).