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

C14H19NO2 — CID 116945049

IUPAC2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-2-12(14(16)17)13(15)11-7-6-9-4-3-5-10(9)8-11/h6-8,12-13H,2-5,15H2,1H3,(H,16,17)
InChIKeyINFSOHWRQCPOBE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds4

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

2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid (PubChem CID 116945049) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
PubChem CID116945049
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-2-12(14(16)17)13(15)11-7-6-9-4-3-5-10(9)8-11/h6-8,12-13H,2-5,15H2,1H3,(H,16,17)
InChIKeyINFSOHWRQCPOBE-UHFFFAOYSA-N
XLogP2.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
1-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114194480
2-[amino-(3-chloro-4-fluorophenyl)methyl]butanoic acid
CID 116945097
2-[amino-(4-ethylsulfanylphenyl)methyl]butanoic acid
CID 116945100
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
CID 82082804
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297695
ethyl 4-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 54927474

Frequently Asked Questions

What is the IUPAC name of 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid?
The IUPAC name of 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid (CID 116945049) is 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid?
The canonical SMILES for 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid is CCC(C(=O)O)C(N)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid?
The InChIKey is INFSOHWRQCPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-12(14(16)17)13(15)11-7-6-9-4-3-5-10(9)8-11/h6-8,12-13H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid?
2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2,3-dihydro-1H-inden-5-yl)methyl]butanoic acid is sourced from PubChem (CID 116945049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).