(3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid

C11H14N2O4 — CID 10705077

IUPAC(3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid
SMILESCC(=O)N[C@H]1CC=C2CC[C@@H](C(=O)O)N2C1=O
InChIInChI=1S/C11H14N2O4/c1-6(14)12-8-4-2-7-3-5-9(11(16)17)13(7)10(8)15/h2,8-9H,3-5H2,1H3,(H,12,14)(H,16,17)/t8-,9-/m0/s1
InChIKeyNNUIUMVXJLBGEH-IUCAKERBSA-N
MW238.24 g/mol
LogP-0.15
Rot. Bonds2

About (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid

(3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid (PubChem CID 10705077) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid
PubChem CID10705077
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid
SMILESCC(=O)N[C@H]1CC=C2CC[C@@H](C(=O)O)N2C1=O
InChIInChI=1S/C11H14N2O4/c1-6(14)12-8-4-2-7-3-5-9(11(16)17)13(7)10(8)15/h2,8-9H,3-5H2,1H3,(H,12,14)(H,16,17)/t8-,9-/m0/s1
InChIKeyNNUIUMVXJLBGEH-IUCAKERBSA-N
XLogP-0.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid (CID 10705077) is (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid is CC(=O)N[C@H]1CC=C2CC[C@@H](C(=O)O)N2C1=O.
What is the InChIKey of (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid?
The InChIKey is NNUIUMVXJLBGEH-IUCAKERBSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(14)12-8-4-2-7-3-5-9(11(16)17)13(7)10(8)15/h2,8-9H,3-5H2,1H3,(H,12,14)(H,16,17)/t8-,9-/m0/s1.
What are the key properties of (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid?
(3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-acetamido-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 10705077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).