2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid

C11H13BrN2O3 — CID 107627390

IUPAC2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
SMILESCc1c(Br)cccc1NC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-7-8(12)4-3-5-9(7)13-11(17)14(2)6-10(15)16/h3-5H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUEONOXUSIXHMOS-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid

2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid (PubChem CID 107627390) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
PubChem CID107627390
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
SMILESCc1c(Br)cccc1NC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-7-8(12)4-3-5-9(7)13-11(17)14(2)6-10(15)16/h3-5H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUEONOXUSIXHMOS-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107627218
2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
CID 103480815
2-[(3-bromo-2-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107627310
2-[(2-cyano-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 114002681
4-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 107627216
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
2-[(4-bromo-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 43135768
2-[(5-bromo-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43555976
2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid
CID 107627485
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid (CID 107627390) is 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid is Cc1c(Br)cccc1NC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid?
The InChIKey is UEONOXUSIXHMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-7-8(12)4-3-5-9(7)13-11(17)14(2)6-10(15)16/h3-5H,6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid?
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid has a molecular weight of 301.14 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 107627390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).