(2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid

C11H10BrNO2 — CID 175151397

IUPAC(2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C=Cc2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO2/c12-7-3-1-6-2-4-8(9(6)5-7)10(13)11(14)15/h1-5,8,10H,13H2,(H,14,15)/t8-,10+/m1/s1
InChIKeyVSNZEKDBUFFBHT-SCZZXKLOSA-N
MW268.11 g/mol
LogP1.97
Rot. Bonds2

About (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid

(2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid (PubChem CID 175151397) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid
PubChem CID175151397
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name(2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@@H]1C=Cc2ccc(Br)cc21
InChIInChI=1S/C11H10BrNO2/c12-7-3-1-6-2-4-8(9(6)5-7)10(13)11(14)15/h1-5,8,10H,13H2,(H,14,15)/t8-,10+/m1/s1
InChIKeyVSNZEKDBUFFBHT-SCZZXKLOSA-N
XLogP1.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid (CID 175151397) is (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid is N[C@H](C(=O)O)[C@@H]1C=Cc2ccc(Br)cc21.
What is the InChIKey of (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid?
The InChIKey is VSNZEKDBUFFBHT-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-7-3-1-6-2-4-8(9(6)5-7)10(13)11(14)15/h1-5,8,10H,13H2,(H,14,15)/t8-,10+/m1/s1.
What are the key properties of (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid?
(2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid has a molecular weight of 268.11 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 175151397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).