3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid

C12H13NO3 — CID 121006880

IUPAC3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESNC(=O)CC1CCc2cccc(C(=O)O)c21
InChIInChI=1S/C12H13NO3/c13-10(14)6-8-5-4-7-2-1-3-9(11(7)8)12(15)16/h1-3,8H,4-6H2,(H2,13,14)(H,15,16)
InChIKeyDTUKMCXTYMGSCN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.29
Rot. Bonds3

About 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid

3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 121006880) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID121006880
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESNC(=O)CC1CCc2cccc(C(=O)O)c21
InChIInChI=1S/C12H13NO3/c13-10(14)6-8-5-4-7-2-1-3-9(11(7)8)12(15)16/h1-3,8H,4-6H2,(H2,13,14)(H,15,16)
InChIKeyDTUKMCXTYMGSCN-UHFFFAOYSA-N
XLogP1.29
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105493137
3-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 85263754
3-(azetidin-1-yl)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105471092
1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
CID 57180230
(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 59505213
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid
CID 12676397
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 125041541
(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143055
ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
CID 23591011
(3aR,9bS)-3-(cyclopropylmethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-9-carboxamide
CID 11777934

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid (CID 121006880) is 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid is NC(=O)CC1CCc2cccc(C(=O)O)c21.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is DTUKMCXTYMGSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c13-10(14)6-8-5-4-7-2-1-3-9(11(7)8)12(15)16/h1-3,8H,4-6H2,(H2,13,14)(H,15,16).
What are the key properties of 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid?
3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 121006880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).