3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid

C13H15NO3 — CID 18071901

IUPAC3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO3/c15-12(16)6-7-14-13(17)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,14,17)(H,15,16)
InChIKeyWOSDLYGBLSNJMX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.38
Rot. Bonds4

About 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid

3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid (PubChem CID 18071901) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
PubChem CID18071901
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15NO3/c15-12(16)6-7-14-13(17)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,14,17)(H,15,16)
InChIKeyWOSDLYGBLSNJMX-UHFFFAOYSA-N
XLogP1.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 55102214
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
CID 107833491
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid (CID 18071901) is 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid is O=C(O)CCNC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid?
The InChIKey is WOSDLYGBLSNJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(16)6-7-14-13(17)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,14,17)(H,15,16).
What are the key properties of 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid?
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid is sourced from PubChem (CID 18071901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).