methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate

C12H15NO2 — CID 124706120

IUPACmethyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
SMILESCOC(=O)[C@@H](N)C1Cc2ccccc2C1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11(13)10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7,13H2,1H3/t11-/m0/s1
InChIKeyYZFJYRDDABEYAI-NSHDSACASA-N
MW205.26 g/mol
LogP0.90
Rot. Bonds2

About methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate

methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate (PubChem CID 124706120) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
PubChem CID124706120
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
SMILESCOC(=O)[C@@H](N)C1Cc2ccccc2C1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11(13)10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7,13H2,1H3/t11-/m0/s1
InChIKeyYZFJYRDDABEYAI-NSHDSACASA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111
1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea
CID 143354834
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
prop-2-enyl (2S,5S)-5-amino-5-(2,3-dihydro-1H-inden-2-yl)-4-oxo-2-propan-2-ylpentanoate
CID 58206154
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 105494456
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
CID 59814447
(2S)-2-[[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]amino]propanoic acid
CID 54203431

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate (CID 124706120) is methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate is COC(=O)[C@@H](N)C1Cc2ccccc2C1.
What is the InChIKey of methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate?
The InChIKey is YZFJYRDDABEYAI-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)11(13)10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7,13H2,1H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate?
methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate has a molecular weight of 205.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate is sourced from PubChem (CID 124706120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).