(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid

C11H11NO3 — CID 15404757

IUPAC(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC(=O)[C@@H]1C[C@H](C(=O)O)c2ccccc21
InChIInChI=1S/C11H11NO3/c12-10(13)8-5-9(11(14)15)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2,(H2,12,13)(H,14,15)/t8-,9+/m1/s1
InChIKeyYGIKIYPXPOHHHX-BDAKNGLRSA-N
MW205.21 g/mol
LogP0.83
Rot. Bonds2

About (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid

(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 15404757) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID15404757
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC(=O)[C@@H]1C[C@H](C(=O)O)c2ccccc21
InChIInChI=1S/C11H11NO3/c12-10(13)8-5-9(11(14)15)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2,(H2,12,13)(H,14,15)/t8-,9+/m1/s1
InChIKeyYGIKIYPXPOHHHX-BDAKNGLRSA-N
XLogP0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-Aminoindane-2-carboxylic acid
CID 250936
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
1-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 233810
2-(carboxymethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 273866
(1S)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 11275176
2-amino-2,3-dihydro-1H-indene-2-carboxylic acid hydrochloride
CID 45789447
1-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 45792443
2-(2-amino-2,3-dihydro-1H-inden-2-yl)acetic acid hydrochloride
CID 57444001
5-Amino-5-oxo-4-phenylpentanoic acid
CID 11041951
2,3-dihydro-1H-indene-1,3-dicarboxylic Acid
CID 10104419
2-amino-2-(2,3-dihydro-1H-inden-1-yl)acetic acid
CID 21864365

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid (CID 15404757) is (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid is NC(=O)[C@@H]1C[C@H](C(=O)O)c2ccccc21.
What is the InChIKey of (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is YGIKIYPXPOHHHX-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H11NO3/c12-10(13)8-5-9(11(14)15)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2,(H2,12,13)(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid?
(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 15404757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).