3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid

C13H18N2O2 — CID 115255887

IUPAC3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
SMILESCNC(CNc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-14-12(13(16)17)8-15-11-6-5-9-3-2-4-10(9)7-11/h5-7,12,14-15H,2-4,8H2,1H3,(H,16,17)
InChIKeyCGTYFDGGPBYJAG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid

3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid (PubChem CID 115255887) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
PubChem CID115255887
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
SMILESCNC(CNc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-14-12(13(16)17)8-15-11-6-5-9-3-2-4-10(9)7-11/h5-7,12,14-15H,2-4,8H2,1H3,(H,16,17)
InChIKeyCGTYFDGGPBYJAG-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81085583
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
CID 114988661
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid (CID 115255887) is 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid is CNC(CNc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid?
The InChIKey is CGTYFDGGPBYJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-12(13(16)17)8-15-11-6-5-9-3-2-4-10(9)7-11/h5-7,12,14-15H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid?
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid is sourced from PubChem (CID 115255887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).