CID 11226237

C7H11O4 — CID 11226237

IUPAC—
SMILES[CH2][C](C)[CH][C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C7H11O4/c1-4(2)3-5(8)6(9)7(10)11/h3,5-6,8-9H,1H2,2H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyXQEGWEGYKYPBAJ-NTSWFWBYSA-N
MW159.16 g/mol
LogP-0.57
Rot. Bonds4

About CID 11226237

CID 11226237 (PubChem CID 11226237) has the molecular formula C7H11O4 and a molecular weight of 159.16 g/mol.

Molecular Properties

Compound NameCID 11226237
PubChem CID11226237
Molecular FormulaC7H11O4
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name—
SMILES[CH2][C](C)[CH][C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C7H11O4/c1-4(2)3-5(8)6(9)7(10)11/h3,5-6,8-9H,1H2,2H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyXQEGWEGYKYPBAJ-NTSWFWBYSA-N
XLogP-0.57
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxybutanedioic acid;prop-1-ene
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2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)
CID 86603507
sodium;2,3-dihydroxybutanedioic acid;acetate
CID 89497134
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
(2R,3S,4R,5R)-3-fluoro-2,4,5-trihydroxyhexanedioic acid
CID 91022433
lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride
CID 173404897

Frequently Asked Questions

What is the IUPAC name of CID 11226237?
The IUPAC name of CID 11226237 (CID 11226237) is not available.
What is the SMILES notation for CID 11226237?
The canonical SMILES for CID 11226237 is [CH2][C](C)[CH][C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of CID 11226237?
The InChIKey is XQEGWEGYKYPBAJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11O4/c1-4(2)3-5(8)6(9)7(10)11/h3,5-6,8-9H,1H2,2H3,(H,10,11)/t5-,6+/m0/s1.
What are the key properties of CID 11226237?
CID 11226237 has a molecular weight of 159.16 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11226237 is sourced from PubChem (CID 11226237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).