(2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid

C8H12O4 — CID 167015601

IUPAC(2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)C1(C)CC=CO1
InChIInChI=1S/C8H12O4/c1-8(4-3-5-12-8)6(11-2)7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/t6-,8?/m0/s1
InChIKeyPCPQEXWRDLRBGY-UUEFVBAFSA-N
MW172.18 g/mol
LogP0.78
Rot. Bonds3

About (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid

(2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid (PubChem CID 167015601) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid
PubChem CID167015601
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid
SMILESCO[C@@H](C(=O)O)C1(C)CC=CO1
InChIInChI=1S/C8H12O4/c1-8(4-3-5-12-8)6(11-2)7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/t6-,8?/m0/s1
InChIKeyPCPQEXWRDLRBGY-UUEFVBAFSA-N
XLogP0.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid?
The IUPAC name of (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid (CID 167015601) is (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid.
What is the SMILES notation for (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid?
The canonical SMILES for (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid is CO[C@@H](C(=O)O)C1(C)CC=CO1.
What is the InChIKey of (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid?
The InChIKey is PCPQEXWRDLRBGY-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H12O4/c1-8(4-3-5-12-8)6(11-2)7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/t6-,8?/m0/s1.
What are the key properties of (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid?
(2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid has a molecular weight of 172.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-(2-methyl-3H-furan-2-yl)acetic acid is sourced from PubChem (CID 167015601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).