2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid

C10H11BrN2O3 — CID 82767167

IUPAC2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid
SMILESCc1ccc(Br)c(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C10H11BrN2O3/c1-6-2-3-7(11)8(4-6)13-10(16)12-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyWDHONKOGRWGMPF-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.96
Rot. Bonds3

About 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid

2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid (PubChem CID 82767167) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid
PubChem CID82767167
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid
SMILESCc1ccc(Br)c(NC(=O)NCC(=O)O)c1
InChIInChI=1S/C10H11BrN2O3/c1-6-2-3-7(11)8(4-6)13-10(16)12-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyWDHONKOGRWGMPF-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[(2-bromo-5-methylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840754
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]butanoic acid
CID 82766171
4-[(2-bromo-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82766558
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
2-[(2-bromo-5-methylphenyl)carbamoylamino]pentanedioic acid
CID 82747545
(2-bromo-5-methylphenyl)urea
CID 82707313
4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
(2S,3R)-2-[(2-bromo-5-methylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966496
2-[[2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
CID 104724803

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid (CID 82767167) is 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid is Cc1ccc(Br)c(NC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid?
The InChIKey is WDHONKOGRWGMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-6-2-3-7(11)8(4-6)13-10(16)12-5-9(14)15/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid?
2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid has a molecular weight of 287.11 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 82767167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).