methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate

C12H15NO2 — CID 134496722

IUPACmethyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
SMILESCOC(=O)C[C@@]1(N)CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-15-11(14)8-12(13)7-6-9-4-2-3-5-10(9)12/h2-5H,6-8,13H2,1H3/t12-/m0/s1
InChIKeyPQJFXISQYXIZDS-LBPRGKRZSA-N
MW205.26 g/mol
LogP1.35
Rot. Bonds2

About methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate

methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate (PubChem CID 134496722) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
PubChem CID134496722
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
SMILESCOC(=O)C[C@@]1(N)CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-15-11(14)8-12(13)7-6-9-4-2-3-5-10(9)12/h2-5H,6-8,13H2,1H3/t12-/m0/s1
InChIKeyPQJFXISQYXIZDS-LBPRGKRZSA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
methyl 2-(4-amino-2,3-dihydrothiochromen-4-yl)acetate
CID 79848760
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
1-(2-chloroethyl)-2,3-dihydroinden-1-amine
CID 172761296
methyl 4-[1-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-naphthalen-1-yl]butanoate
CID 155336471
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234108
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
ethyl 2-[(1S)-1-amino-4-chloro-2,3-dihydroinden-1-yl]acetate
CID 170356428
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
CID 70096888

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate?
The IUPAC name of methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate (CID 134496722) is methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate.
What is the SMILES notation for methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate?
The canonical SMILES for methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate is COC(=O)C[C@@]1(N)CCc2ccccc21.
What is the InChIKey of methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate?
The InChIKey is PQJFXISQYXIZDS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11(14)8-12(13)7-6-9-4-2-3-5-10(9)12/h2-5H,6-8,13H2,1H3/t12-/m0/s1.
What are the key properties of methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate?
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate has a molecular weight of 205.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate is sourced from PubChem (CID 134496722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).