2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid

C10H9Br2NO4 — CID 107971162

IUPAC2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H9Br2NO4/c11-6-1-5(2-7(12)3-6)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyJADLKBXBKBQJJP-UHFFFAOYSA-N
MW366.99 g/mol
LogP1.39
Rot. Bonds4

About 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid

2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 107971162) has the molecular formula C10H9Br2NO4 and a molecular weight of 366.99 g/mol. Its IUPAC name is 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID107971162
Molecular FormulaC10H9Br2NO4
Molecular Weight366.99 g/mol
Exact Mass364.89
IUPAC Name2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H9Br2NO4/c11-6-1-5(2-7(12)3-6)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17)
InChIKeyJADLKBXBKBQJJP-UHFFFAOYSA-N
XLogP1.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.99
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107938205
(2R)-4-amino-2-[(3,5-dibromobenzoyl)amino]-4-oxobutanoic acid
CID 114022564
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357752
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3-hydroxy-2-[(3,4,5-triethoxybenzoyl)amino]propanoic acid
CID 16773565
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107998015
(2R)-2-[(3-bromo-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 113460489
(2R)-2-[(3,5-dibromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107971712
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
5-amino-2-[(3-bromo-5-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 107937702

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid (CID 107971162) is 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is JADLKBXBKBQJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO4/c11-6-1-5(2-7(12)3-6)9(15)13-8(4-14)10(16)17/h1-3,8,14H,4H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid?
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 366.99 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 107971162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).