(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid

C12H14BrNO4 — CID 107729511

IUPAC(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(Br)ccc1O)C(=O)O
InChIInChI=1S/C12H14BrNO4/c1-2-3-9(12(17)18)14-11(16)8-6-7(13)4-5-10(8)15/h4-6,9,15H,2-3H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyYHIKVWDKRLGYCA-SECBINFHSA-N
MW316.15 g/mol
LogP2.14
Rot. Bonds5

About (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid

(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid (PubChem CID 107729511) has the molecular formula C12H14BrNO4 and a molecular weight of 316.15 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
PubChem CID107729511
Molecular FormulaC12H14BrNO4
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(Br)ccc1O)C(=O)O
InChIInChI=1S/C12H14BrNO4/c1-2-3-9(12(17)18)14-11(16)8-6-7(13)4-5-10(8)15/h4-6,9,15H,2-3H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyYHIKVWDKRLGYCA-SECBINFHSA-N
XLogP2.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
2-[(5-bromo-2-iodobenzoyl)amino]hexanoic acid
CID 43387033
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
(2S)-2-[(5-bromo-2-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107729323
2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
CID 43630288
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid (CID 107729511) is (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1cc(Br)ccc1O)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid?
The InChIKey is YHIKVWDKRLGYCA-SECBINFHSA-N. The full InChI is InChI=1S/C12H14BrNO4/c1-2-3-9(12(17)18)14-11(16)8-6-7(13)4-5-10(8)15/h4-6,9,15H,2-3H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid?
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid has a molecular weight of 316.15 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 107729511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).