(2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid

C12H13NO2 — CID 97304435

IUPAC(2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid
SMILESN[C@@H](C(=O)O)[C@@H]1C=Cc2ccccc2C1
InChIInChI=1S/C12H13NO2/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-6,10-11H,7,13H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyDPSNYXFGTTYDTH-GHMZBOCLSA-N
MW203.24 g/mol
LogP1.28
Rot. Bonds2

About (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid

(2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid (PubChem CID 97304435) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid
PubChem CID97304435
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid
SMILESN[C@@H](C(=O)O)[C@@H]1C=Cc2ccccc2C1
InChIInChI=1S/C12H13NO2/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-6,10-11H,7,13H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyDPSNYXFGTTYDTH-GHMZBOCLSA-N
XLogP1.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E,2S)-2-[(2R)-1,2-dihydronaphthalen-2-yl]-4-phenylbut-3-enoate
CID 101348602
2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid;ethane
CID 178025111
(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 70213460
(2R)-1,2-dihydronaphthalen-2-ol
CID 12963098
2-(1,2-dihydronaphthalen-2-yl)-1,2-dihydronaphthalene
CID 71322997
1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate
CID 165348255
(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid
CID 129493888
hydrogen peroxide;1H-indene;hydrobromide
CID 158452751
2-amino-2-(3-oxocyclobutyl)acetic acid
CID 121208056
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 124706120
2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
CID 83985173

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid?
The IUPAC name of (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid (CID 97304435) is (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid?
The canonical SMILES for (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid is N[C@@H](C(=O)O)[C@@H]1C=Cc2ccccc2C1.
What is the InChIKey of (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid?
The InChIKey is DPSNYXFGTTYDTH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H13NO2/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-6,10-11H,7,13H2,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid?
(2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid has a molecular weight of 203.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[(2S)-1,2-dihydronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 97304435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).