5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid

C10H14O4 — CID 170903953

IUPAC5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
SMILESCC(C)(C)[C@H](O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O4/c1-10(2,3)8(11)6-4-5-7(14-6)9(12)13/h4-5,8,11H,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyYYZRFDJENREARO-MRVPVSSYSA-N
MW198.22 g/mol
LogP2.06
Rot. Bonds2

About 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid

5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid (PubChem CID 170903953) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
PubChem CID170903953
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
SMILESCC(C)(C)[C@H](O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O4/c1-10(2,3)8(11)6-4-5-7(14-6)9(12)13/h4-5,8,11H,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyYYZRFDJENREARO-MRVPVSSYSA-N
XLogP2.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(1-hydroxy-2,2-dimethylpropyl)furan-2-yl]-2,2-dimethylpropan-1-ol
CID 155481572
ethyl 5-(1-hydroxy-2,2-dimethylpropyl)furan-2-carboxylate
CID 59336416
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[(2-tert-butylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947428
5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
CID 170823605
5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid
CID 84720708
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201
5-(1-propan-2-ylsulfanylethyl)furan-2-carboxylic acid
CID 79084607
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid
CID 171867797

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid (CID 170903953) is 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid is CC(C)(C)[C@H](O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid?
The InChIKey is YYZRFDJENREARO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2,3)8(11)6-4-5-7(14-6)9(12)13/h4-5,8,11H,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid?
5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid is sourced from PubChem (CID 170903953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).