(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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Related Compounds

(2S)-2-[(1S)-6-bromo-1H-inden-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175153212
6-bromo-1H-inden-1-ol
CID 85344682
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
2-[(1R)-1-amino-2-hydroxyethyl]-5-bromobenzoic acid
CID 66515307
(2R)-2-amino-3-(2-amino-4-bromophenyl)propanoic acid
CID 130607819
1-(6-methoxy-1H-inden-1-yl)ethanol
CID 90078900
2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
CID 94771214
2,3-diamino-3-(4-bromophenyl)propanoic acid
CID 116942182
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287

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).