2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid

C8H9NO4 — CID 83876169

IUPAC2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid
SMILESO=C(O)CC1CCc2[nH]c(=O)oc21
InChIInChI=1S/C8H9NO4/c10-6(11)3-4-1-2-5-7(4)13-8(12)9-5/h4H,1-3H2,(H,9,12)(H,10,11)
InChIKeyFQHIUQBWIINTEI-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.47
Rot. Bonds2

About 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid

2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid (PubChem CID 83876169) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid
PubChem CID83876169
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid
SMILESO=C(O)CC1CCc2[nH]c(=O)oc21
InChIInChI=1S/C8H9NO4/c10-6(11)3-4-1-2-5-7(4)13-8(12)9-5/h4H,1-3H2,(H,9,12)(H,10,11)
InChIKeyFQHIUQBWIINTEI-UHFFFAOYSA-N
XLogP0.47
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid
CID 132555561
2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)acetic acid
CID 83907980
2-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetic acid
CID 81104414
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)acetic acid
CID 82414310
2-[(5R)-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl]acetic acid
CID 93493359
4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one
CID 54507817
2-(5,6-dihydro-4H-cyclopenta[c][1,2]thiazol-6-yl)acetic acid
CID 82407162
2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid
CID 71410124
2-[(1S,4E)-8-oxocyclooct-4-en-1-yl]acetic acid
CID 169300305
2-(5-oxomorpholin-3-yl)acetic acid
CID 84650865
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid?
The IUPAC name of 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid (CID 83876169) is 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid is O=C(O)CC1CCc2[nH]c(=O)oc21.
What is the InChIKey of 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid?
The InChIKey is FQHIUQBWIINTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-6(11)3-4-1-2-5-7(4)13-8(12)9-5/h4H,1-3H2,(H,9,12)(H,10,11).
What are the key properties of 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid?
2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4,5,6-tetrahydrocyclopenta[d][1,3]oxazol-6-yl)acetic acid is sourced from PubChem (CID 83876169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).