2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid

C13H14BrNO4 — CID 107729298

IUPAC2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H14BrNO4/c14-9-3-4-11(16)10(5-9)13(19)15(7-12(17)18)6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H,17,18)
InChIKeyWHHYRPXAYQYJBC-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.09
Rot. Bonds5

About 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid

2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 107729298) has the molecular formula C13H14BrNO4 and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID107729298
Molecular FormulaC13H14BrNO4
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H14BrNO4/c14-9-3-4-11(16)10(5-9)13(19)15(7-12(17)18)6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H,17,18)
InChIKeyWHHYRPXAYQYJBC-UHFFFAOYSA-N
XLogP2.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
2-[(5-bromo-2-hydroxybenzoyl)-prop-2-enylamino]acetic acid
CID 107729428
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892
2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655931
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655476
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid (CID 107729298) is 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is WHHYRPXAYQYJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4/c14-9-3-4-11(16)10(5-9)13(19)15(7-12(17)18)6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H,17,18).
What are the key properties of 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 328.16 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 107729298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).