(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

C12H13NO6 — CID 11119038

IUPAC(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)CCc1cc(O)c2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C12H13NO6/c14-9-5-6(1-4-10(15)16)11(17)13-7(9)2-3-8(13)12(18)19/h5,8,14H,1-4H2,(H,15,16)(H,18,19)/t8-/m0/s1
InChIKeyHMWIHWAAIYAMFZ-QMMMGPOBSA-N
MW267.24 g/mol
LogP0.14
Rot. Bonds4

About (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 11119038) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID11119038
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)CCc1cc(O)c2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C12H13NO6/c14-9-5-6(1-4-10(15)16)11(17)13-7(9)2-3-8(13)12(18)19/h5,8,14H,1-4H2,(H,15,16)(H,18,19)/t8-/m0/s1
InChIKeyHMWIHWAAIYAMFZ-QMMMGPOBSA-N
XLogP0.14
TPSA116.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

A 58365A
CID 137365
A 58365B
CID 137366
fluoro 7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 155238332
methyl (3S)-8-hydroxy-6-(3-methoxy-3-oxopropyl)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 11000918
(4S)-7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 10912949
(3R)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 101945059
(S)-5-Oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 57907462
8-hydroxy-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59975149
5-Oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 76637873
(2S)-1-ethyl-5-oxo-4-prop-2-enylidenepyrrolidine-2-carboxylic acid
CID 88324477
7-Hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 89650887
Ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate
CID 89651352

Frequently Asked Questions

What is the IUPAC name of (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 11119038) is (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is O=C(O)CCc1cc(O)c2n(c1=O)[C@H](C(=O)O)CC2.
What is the InChIKey of (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is HMWIHWAAIYAMFZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13NO6/c14-9-5-6(1-4-10(15)16)11(17)13-7(9)2-3-8(13)12(18)19/h5,8,14H,1-4H2,(H,15,16)(H,18,19)/t8-/m0/s1.
What are the key properties of (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
(3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 11119038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).