2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid

C14H20N2O2 — CID 115240823

IUPAC2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H20N2O2/c15-13(14(17)18)9-16-7-6-10-4-5-11-2-1-3-12(11)8-10/h4-5,8,13,16H,1-3,6-7,9,15H2,(H,17,18)
InChIKeyQYJGGSFHCSKYGJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.72
Rot. Bonds6

About 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid

2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid (PubChem CID 115240823) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
PubChem CID115240823
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H20N2O2/c15-13(14(17)18)9-16-7-6-10-4-5-11-2-1-3-12(11)8-10/h4-5,8,13,16H,1-3,6-7,9,15H2,(H,17,18)
InChIKeyQYJGGSFHCSKYGJ-UHFFFAOYSA-N
XLogP0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115240814
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115219521
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
CID 64582443
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 115153778
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
The IUPAC name of 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid (CID 115240823) is 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid is NC(CNCCc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
The InChIKey is QYJGGSFHCSKYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(14(17)18)9-16-7-6-10-4-5-11-2-1-3-12(11)8-10/h4-5,8,13,16H,1-3,6-7,9,15H2,(H,17,18).
What are the key properties of 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid is sourced from PubChem (CID 115240823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).