3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid

C13H17NO2 — CID 82350821

IUPAC3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
SMILESNC(CC(=O)O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO2/c14-12(8-13(15)16)7-9-4-5-10-2-1-3-11(10)6-9/h4-6,12H,1-3,7-8,14H2,(H,15,16)
InChIKeyPVSIGELBOBABQU-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid

3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid (PubChem CID 82350821) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid.

Molecular Properties

Compound Name3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
PubChem CID82350821
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
SMILESNC(CC(=O)O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO2/c14-12(8-13(15)16)7-9-4-5-10-2-1-3-11(10)6-9/h4-6,12H,1-3,7-8,14H2,(H,15,16)
InChIKeyPVSIGELBOBABQU-UHFFFAOYSA-N
XLogP1.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351473
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
CID 82480198
3-amino-4-[methyl(5,6,7,8-tetrahydronaphthalen-2-yl)amino]butanoic acid
CID 115241543
3-amino-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid
CID 82348857
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid
CID 82350813
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
3-(2,3-dihydro-1H-inden-5-ylmethylsulfinyl)butanoic acid
CID 66113048

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid?
The IUPAC name of 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid (CID 82350821) is 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid.
What is the SMILES notation for 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid?
The canonical SMILES for 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid is NC(CC(=O)O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid?
The InChIKey is PVSIGELBOBABQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-12(8-13(15)16)7-9-4-5-10-2-1-3-11(10)6-9/h4-6,12H,1-3,7-8,14H2,(H,15,16).
What are the key properties of 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid?
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid is sourced from PubChem (CID 82350821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).