3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C10H14N2O5 — CID 152769197

IUPAC3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC(O)C1C(=O)N2C(C(=O)O)C(=CCN)OC12
InChIInChI=1S/C10H14N2O5/c1-4(13)6-8(14)12-7(10(15)16)5(2-3-11)17-9(6)12/h2,4,6-7,9,13H,3,11H2,1H3,(H,15,16)
InChIKeyRUZDRHPWQQZJKB-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.52
Rot. Bonds3

About 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (PubChem CID 152769197) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID152769197
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC(O)C1C(=O)N2C(C(=O)O)C(=CCN)OC12
InChIInChI=1S/C10H14N2O5/c1-4(13)6-8(14)12-7(10(15)16)5(2-3-11)17-9(6)12/h2,4,6-7,9,13H,3,11H2,1H3,(H,15,16)
InChIKeyRUZDRHPWQQZJKB-UHFFFAOYSA-N
XLogP-1.52
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3Z,5S)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 5460408
(2R)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 57094990
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 18600096
(5R,6R)-3-(4-amino-2-methylbutan-2-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 11358073
(6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 56619098
(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 88726280
(2R,3R,5R,6R)-6-(1-hydroxyethyl)-3-methanethioyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 88597798
(2S,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 25201844
(5R)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 163522695
3-[2-[(2-aminoacetyl)amino]ethylidene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 162890309
azane;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 24721216
(2R,5R,6S)-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 11701918

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The IUPAC name of 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CID 152769197) is 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The canonical SMILES for 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is CC(O)C1C(=O)N2C(C(=O)O)C(=CCN)OC12.
What is the InChIKey of 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The InChIKey is RUZDRHPWQQZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-4(13)6-8(14)12-7(10(15)16)5(2-3-11)17-9(6)12/h2,4,6-7,9,13H,3,11H2,1H3,(H,15,16).
What are the key properties of 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylidene)-6-(1-hydroxyethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is sourced from PubChem (CID 152769197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).