2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid

C12H15NO3 — CID 83910520

IUPAC2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESCOc1cccc2c1CCC2C(N)C(=O)O
InChIInChI=1S/C12H15NO3/c1-16-10-4-2-3-7-8(10)5-6-9(7)11(13)12(14)15/h2-4,9,11H,5-6,13H2,1H3,(H,14,15)
InChIKeyRBWYJAMWEIKPKR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid

2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid (PubChem CID 83910520) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
PubChem CID83910520
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESCOc1cccc2c1CCC2C(N)C(=O)O
InChIInChI=1S/C12H15NO3/c1-16-10-4-2-3-7-8(10)5-6-9(7)11(13)12(14)15/h2-4,9,11H,5-6,13H2,1H3,(H,14,15)
InChIKeyRBWYJAMWEIKPKR-UHFFFAOYSA-N
XLogP1.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105481651
2-amino-2-(8-methoxy-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 83912173
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
5-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058079
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091
1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one
CID 139785240
(2S)-2-amino-1-(4-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 129494804
2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
CID 120591605
1-(6-methoxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl)propan-1-one
CID 19021486
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid (CID 83910520) is 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid is COc1cccc2c1CCC2C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The InChIKey is RBWYJAMWEIKPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-10-4-2-3-7-8(10)5-6-9(7)11(13)12(14)15/h2-4,9,11H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 83910520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).