(3R)-3-(5-methylfuran-2-yl)butanoic acid

C9H12O3 — CID 28791563

IUPAC(3R)-3-(5-methylfuran-2-yl)butanoic acid
SMILESCc1ccc([C@H](C)CC(=O)O)o1
InChIInChI=1S/C9H12O3/c1-6(5-9(10)11)8-4-3-7(2)12-8/h3-4,6H,5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyDMMGHZBLNRLHRW-ZCFIWIBFSA-N
MW168.19 g/mol
LogP2.17
Rot. Bonds3

About (3R)-3-(5-methylfuran-2-yl)butanoic acid

(3R)-3-(5-methylfuran-2-yl)butanoic acid (PubChem CID 28791563) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (3R)-3-(5-methylfuran-2-yl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(5-methylfuran-2-yl)butanoic acid
PubChem CID28791563
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(3R)-3-(5-methylfuran-2-yl)butanoic acid
SMILESCc1ccc([C@H](C)CC(=O)O)o1
InChIInChI=1S/C9H12O3/c1-6(5-9(10)11)8-4-3-7(2)12-8/h3-4,6H,5H2,1-2H3,(H,10,11)/t6-/m1/s1
InChIKeyDMMGHZBLNRLHRW-ZCFIWIBFSA-N
XLogP2.17
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
3-(5-pyrimidin-5-ylfuran-2-yl)butanoic acid
CID 82543397
3-methyl-2-(5-methylfuran-2-yl)pentanoic acid
CID 112708912
ethyl 2-amino-5-(5-methylfuran-2-yl)hexanoate
CID 170884770
9-(5-methylfuran-2-yl)decane-2,3,6-trione
CID 164936095
2-[butan-2-yl-[1-(5-methylfuran-2-yl)ethyl]amino]acetic acid
CID 65058039
3-[(3,5-difluorophenyl)sulfonylamino]-3-(5-methylfuran-2-yl)propanoic acid
CID 154862933
3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol
CID 101334228
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
3-(5-methylfuran-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 53441984
2-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenyl]acetic acid
CID 103242341
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methylfuran-2-yl)butanoic acid?
The IUPAC name of (3R)-3-(5-methylfuran-2-yl)butanoic acid (CID 28791563) is (3R)-3-(5-methylfuran-2-yl)butanoic acid.
What is the SMILES notation for (3R)-3-(5-methylfuran-2-yl)butanoic acid?
The canonical SMILES for (3R)-3-(5-methylfuran-2-yl)butanoic acid is Cc1ccc([C@H](C)CC(=O)O)o1.
What is the InChIKey of (3R)-3-(5-methylfuran-2-yl)butanoic acid?
The InChIKey is DMMGHZBLNRLHRW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12O3/c1-6(5-9(10)11)8-4-3-7(2)12-8/h3-4,6H,5H2,1-2H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (3R)-3-(5-methylfuran-2-yl)butanoic acid?
(3R)-3-(5-methylfuran-2-yl)butanoic acid has a molecular weight of 168.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methylfuran-2-yl)butanoic acid is sourced from PubChem (CID 28791563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).