2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid

C16H23NO2 — CID 143121060

IUPAC2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid
SMILESCC(C(=O)O)C1c2ccccc2CC1CCN(C)C
InChIInChI=1S/C16H23NO2/c1-11(16(18)19)15-13(8-9-17(2)3)10-12-6-4-5-7-14(12)15/h4-7,11,13,15H,8-10H2,1-3H3,(H,18,19)
InChIKeyQSBPGWHEVDAJQL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid

2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid (PubChem CID 143121060) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid
PubChem CID143121060
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid
SMILESCC(C(=O)O)C1c2ccccc2CC1CCN(C)C
InChIInChI=1S/C16H23NO2/c1-11(16(18)19)15-13(8-9-17(2)3)10-12-6-4-5-7-14(12)15/h4-7,11,13,15H,8-10H2,1-3H3,(H,18,19)
InChIKeyQSBPGWHEVDAJQL-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[(2R,9S)-2-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]ethanamine
CID 6992647
(E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)-N,N-dimethylethanamine
CID 6448356
(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70608078
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
(1R,2R)-2-[amino(methyl)amino]-2,3-dihydro-1H-inden-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 158123957
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
(1S)-3-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methoxy-1-phenylpropan-2-one
CID 159876841
2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(2-methylpropyl)amino]acetic acid
CID 66418561
N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 784635
2-(16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-yl)-N,N-dimethylethanamine;(Z)-but-2-enedioic acid
CID 20840126
2-(16-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-yl)-N,N-dimethylethanamine;(E)-but-2-enedioic acid
CID 5477052
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanoic acid
CID 79425221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid (CID 143121060) is 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid is CC(C(=O)O)C1c2ccccc2CC1CCN(C)C.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid?
The InChIKey is QSBPGWHEVDAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(16(18)19)15-13(8-9-17(2)3)10-12-6-4-5-7-14(12)15/h4-7,11,13,15H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid?
2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-inden-1-yl]propanoic acid is sourced from PubChem (CID 143121060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).