2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid

C9H11NO3 — CID 125451996

IUPAC2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid
SMILESC[C@@H]1C[C@@H]1c1ncc(CC(=O)O)o1
InChIInChI=1S/C9H11NO3/c1-5-2-7(5)9-10-4-6(13-9)3-8(11)12/h4-5,7H,2-3H2,1H3,(H,11,12)/t5-,7+/m1/s1
InChIKeyHYOYWEGKSICTPL-VDTYLAMSSA-N
MW181.19 g/mol
LogP1.43
Rot. Bonds3

About 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid

2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid (PubChem CID 125451996) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid
PubChem CID125451996
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid
SMILESC[C@@H]1C[C@@H]1c1ncc(CC(=O)O)o1
InChIInChI=1S/C9H11NO3/c1-5-2-7(5)9-10-4-6(13-9)3-8(11)12/h4-5,7H,2-3H2,1H3,(H,11,12)/t5-,7+/m1/s1
InChIKeyHYOYWEGKSICTPL-VDTYLAMSSA-N
XLogP1.43
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid (CID 125451996) is 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid is C[C@@H]1C[C@@H]1c1ncc(CC(=O)O)o1.
What is the InChIKey of 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid?
The InChIKey is HYOYWEGKSICTPL-VDTYLAMSSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-2-7(5)9-10-4-6(13-9)3-8(11)12/h4-5,7H,2-3H2,1H3,(H,11,12)/t5-,7+/m1/s1.
What are the key properties of 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid?
2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid has a molecular weight of 181.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 125451996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).