(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid

C9H12O4 — CID 142030961

IUPAC(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
SMILESO=C(O)C[C@H](CO)Cc1ccco1
InChIInChI=1S/C9H12O4/c10-6-7(5-9(11)12)4-8-2-1-3-13-8/h1-3,7,10H,4-6H2,(H,11,12)/t7-/m1/s1
InChIKeyAYXLOLMBBPQSKS-SSDOTTSWSA-N
MW184.19 g/mol
LogP0.91
Rot. Bonds5

About (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid

(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid (PubChem CID 142030961) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
PubChem CID142030961
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
SMILESO=C(O)C[C@H](CO)Cc1ccco1
InChIInChI=1S/C9H12O4/c10-6-7(5-9(11)12)4-8-2-1-3-13-8/h1-3,7,10H,4-6H2,(H,11,12)/t7-/m1/s1
InChIKeyAYXLOLMBBPQSKS-SSDOTTSWSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-4-(furan-2-yl)butanoic acid
CID 2761693
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
CID 81070085
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
2-(2-ethylbutyl)furan
CID 68844643
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
CID 117246279
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid?
The IUPAC name of (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid (CID 142030961) is (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid.
What is the SMILES notation for (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid?
The canonical SMILES for (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid is O=C(O)C[C@H](CO)Cc1ccco1.
What is the InChIKey of (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid?
The InChIKey is AYXLOLMBBPQSKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12O4/c10-6-7(5-9(11)12)4-8-2-1-3-13-8/h1-3,7,10H,4-6H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid?
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 142030961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).