2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid

C13H17NO4 — CID 143627034

IUPAC2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CO.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C4H7NO4/c1-2-5-9-7-3-6-8(9)4-1;6-2-3(7)5-1-4(8)9/h1-2,4-5H,3,6-7H2;6H,1-2H2,(H,5,7)(H,8,9)
InChIKeyLCWFNPPADLEFKE-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.35
Rot. Bonds3

About 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid

2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid (PubChem CID 143627034) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid
PubChem CID143627034
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CO.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C4H7NO4/c1-2-5-9-7-3-6-8(9)4-1;6-2-3(7)5-1-4(8)9/h1-2,4-5H,3,6-7H2;6H,1-2H2,(H,5,7)(H,8,9)
InChIKeyLCWFNPPADLEFKE-UHFFFAOYSA-N
XLogP0.35
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[4-(1,3-dihydroisoindol-2-yl)butanoylamino]acetic acid
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2,3-dihydro-1H-indene;hypobromous acid
CID 174544280
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
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2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
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CID 54461030

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid?
The IUPAC name of 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid (CID 143627034) is 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid.
What is the SMILES notation for 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid?
The canonical SMILES for 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid is O=C(O)CNC(=O)CO.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid?
The InChIKey is LCWFNPPADLEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C4H7NO4/c1-2-5-9-7-3-6-8(9)4-1;6-2-3(7)5-1-4(8)9/h1-2,4-5H,3,6-7H2;6H,1-2H2,(H,5,7)(H,8,9).
What are the key properties of 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid?
2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;2-[(2-hydroxyacetyl)amino]acetic acid is sourced from PubChem (CID 143627034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).