(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid

C10H10O3 — CID 155904489

IUPAC(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@@H](O)CC2
InChIInChI=1S/C10H10O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5,9,11H,3-4H2,(H,12,13)/t9-/m0/s1
InChIKeyLWCVWFQTPKSGOI-VIFPVBQESA-N
MW178.19 g/mol
LogP1.36
Rot. Bonds1

About (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid

(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 155904489) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID155904489
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@@H](O)CC2
InChIInChI=1S/C10H10O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5,9,11H,3-4H2,(H,12,13)/t9-/m0/s1
InChIKeyLWCVWFQTPKSGOI-VIFPVBQESA-N
XLogP1.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
14-hydroxy-2-thiatetracyclo[9.7.0.03,8.013,17]octadeca-1(18),3(8),4,6,11,13(17)-hexaene-5-carboxylic acid
CID 70380755
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 70978507
(5S)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
CID 91212770
1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 72607705
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66827063
1-(5-hydroxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)propan-1-one
CID 90992189
6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359820
2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
CID 86099294

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid (CID 155904489) is (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)[C@@H](O)CC2.
What is the InChIKey of (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is LWCVWFQTPKSGOI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5,9,11H,3-4H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid?
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 155904489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).