(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid

C10H10BrNO5 — CID 107833831

IUPAC(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ccc(Br)cc1O
InChIInChI=1S/C10H10BrNO5/c11-5-1-2-6(7(13)3-5)9(15)12-4-8(14)10(16)17/h1-3,8,13-14H,4H2,(H,12,15)(H,16,17)/t8-/m0/s1
InChIKeyYAPQHRJQLBYXHS-QMMMGPOBSA-N
MW304.10 g/mol
LogP0.33
Rot. Bonds4

About (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid (PubChem CID 107833831) has the molecular formula C10H10BrNO5 and a molecular weight of 304.10 g/mol. Its IUPAC name is (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
PubChem CID107833831
Molecular FormulaC10H10BrNO5
Molecular Weight304.10 g/mol
Exact Mass302.97
IUPAC Name(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1ccc(Br)cc1O
InChIInChI=1S/C10H10BrNO5/c11-5-1-2-6(7(13)3-5)9(15)12-4-8(14)10(16)17/h1-3,8,13-14H,4H2,(H,12,15)(H,16,17)/t8-/m0/s1
InChIKeyYAPQHRJQLBYXHS-QMMMGPOBSA-N
XLogP0.33
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
(2S)-3-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833572
2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 65219579
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107721718
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid (CID 107833831) is (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid is O=C(NC[C@H](O)C(=O)O)c1ccc(Br)cc1O.
What is the InChIKey of (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is YAPQHRJQLBYXHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10BrNO5/c11-5-1-2-6(7(13)3-5)9(15)12-4-8(14)10(16)17/h1-3,8,13-14H,4H2,(H,12,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 304.10 g/mol, XLogP of 0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).