4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid

C8H11NO3 — CID 82758942

IUPAC4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid
SMILESC[C@@H](O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C8H11NO3/c1-5(10)6-3-7(8(11)12)9(2)4-6/h3-5,10H,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyLZGVOTOJPIKVPA-RXMQYKEDSA-N
MW169.18 g/mol
LogP0.78
Rot. Bonds2

About 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid

4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 82758942) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID82758942
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid
SMILESC[C@@H](O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C8H11NO3/c1-5(10)6-3-7(8(11)12)9(2)4-6/h3-5,10H,1-2H3,(H,11,12)/t5-/m1/s1
InChIKeyLZGVOTOJPIKVPA-RXMQYKEDSA-N
XLogP0.78
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)-hydroxymethyl]-1-methylpyrrole-2-carboxylic acid
CID 12783812
4-fluoro-1-methylpyrrole-2-carboxylic acid
CID 84648823
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
1-methyl-4-(2-propylpentanoyl)pyrrole-2-carboxylic acid
CID 82985303
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-[[4-(carboxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 71195870
4-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid
CID 171713576
1-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 112658017
1-methyl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 54876209
4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60952297
1-methyl-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)pyrrole-2-carboxylic acid
CID 66478199

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid (CID 82758942) is 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid is C[C@@H](O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is LZGVOTOJPIKVPA-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(10)6-3-7(8(11)12)9(2)4-6/h3-5,10H,1-2H3,(H,11,12)/t5-/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid?
4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxyethyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 82758942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).