(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid

C6H7NO4 — CID 167015592

IUPAC(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid
SMILESCO[C@H](C(=O)O)c1cnco1
InChIInChI=1S/C6H7NO4/c1-10-5(6(8)9)4-2-7-3-11-4/h2-3,5H,1H3,(H,8,9)/t5-/m0/s1
InChIKeyPXMQWKTXXMNTEX-YFKPBYRVSA-N
MW157.12 g/mol
LogP0.45
Rot. Bonds3

About (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid

(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid (PubChem CID 167015592) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid
PubChem CID167015592
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid
SMILESCO[C@H](C(=O)O)c1cnco1
InChIInChI=1S/C6H7NO4/c1-10-5(6(8)9)4-2-7-3-11-4/h2-3,5H,1H3,(H,8,9)/t5-/m0/s1
InChIKeyPXMQWKTXXMNTEX-YFKPBYRVSA-N
XLogP0.45
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
The IUPAC name of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid (CID 167015592) is (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid.
What is the SMILES notation for (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
The canonical SMILES for (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid is CO[C@H](C(=O)O)c1cnco1.
What is the InChIKey of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
The InChIKey is PXMQWKTXXMNTEX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7NO4/c1-10-5(6(8)9)4-2-7-3-11-4/h2-3,5H,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid?
(2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid has a molecular weight of 157.12 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-(1,3-oxazol-5-yl)acetic acid is sourced from PubChem (CID 167015592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).