(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid

C9H10BrNO3 — CID 174944828

IUPAC(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)C(O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO3/c10-6-3-1-2-5(4-6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8?/m0/s1
InChIKeyJOQQRBIWDXNLFR-JAMMHHFISA-N
MW260.09 g/mol
LogP0.89
Rot. Bonds3

About (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid

(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid (PubChem CID 174944828) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
PubChem CID174944828
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
SMILESN[C@H](C(=O)O)C(O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO3/c10-6-3-1-2-5(4-6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8?/m0/s1
InChIKeyJOQQRBIWDXNLFR-JAMMHHFISA-N
XLogP0.89
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
2-[amino-(3-bromophenyl)methyl]-3-methylbutanoic acid
CID 116945232
tert-butyl (2S,3R)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoate
CID 46900208
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
3-(3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869213
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
2-amino-3-(3-bromo-5-fluorophenyl)-3-hydroxypropanoic acid
CID 130641311
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107104802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid (CID 174944828) is (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid is N[C@H](C(=O)O)C(O)c1cccc(Br)c1.
What is the InChIKey of (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid?
The InChIKey is JOQQRBIWDXNLFR-JAMMHHFISA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-6-3-1-2-5(4-6)8(12)7(11)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid?
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid has a molecular weight of 260.09 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 174944828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).