4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid

C10H11NO3 — CID 167722989

IUPAC4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESO=C(O)c1cc(CO)c2c(c1)NCC2
InChIInChI=1S/C10H11NO3/c12-5-7-3-6(10(13)14)4-9-8(7)1-2-11-9/h3-4,11-12H,1-2,5H2,(H,13,14)
InChIKeyGWWCJXPXPHLZCO-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.85
Rot. Bonds2

About 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid

4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid (PubChem CID 167722989) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid
PubChem CID167722989
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid
SMILESO=C(O)c1cc(CO)c2c(c1)NCC2
InChIInChI=1S/C10H11NO3/c12-5-7-3-6(10(13)14)4-9-8(7)1-2-11-9/h3-4,11-12H,1-2,5H2,(H,13,14)
InChIKeyGWWCJXPXPHLZCO-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
CID 117110506
3-chloro-4,5-bis(hydroxymethyl)benzoic acid
CID 90442235
chloromethane;9-ethyl-2,3-dihydro-1H-benzo[e]indol-5-ol
CID 143754973
3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
CID 91566156
5-hydroxy-2,3-dihydro-1H-indole-4-carboxylic acid
CID 84656778
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid
CID 134221633
methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 68701783
1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone
CID 115105355
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
5-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
CID 130038964
1,5,6,7-tetrahydropyrrolo[2,3-f]indole-2-carboxylic acid
CID 12936177

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid (CID 167722989) is 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid is O=C(O)c1cc(CO)c2c(c1)NCC2.
What is the InChIKey of 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid?
The InChIKey is GWWCJXPXPHLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-5-7-3-6(10(13)14)4-9-8(7)1-2-11-9/h3-4,11-12H,1-2,5H2,(H,13,14).
What are the key properties of 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid?
4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxylic acid is sourced from PubChem (CID 167722989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).