2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid

C13H17FN2O3 — CID 62821454

IUPAC2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1cc(F)ccc1NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-8-7-9(14)5-6-10(8)15-12(19)16(4)13(2,3)11(17)18/h5-7H,1-4H3,(H,15,19)(H,17,18)
InChIKeySCMOUDOVBWUUFY-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.46
Rot. Bonds3

About 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62821454) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID62821454
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1cc(F)ccc1NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-8-7-9(14)5-6-10(8)15-12(19)16(4)13(2,3)11(17)18/h5-7H,1-4H3,(H,15,19)(H,17,18)
InChIKeySCMOUDOVBWUUFY-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822125
2-[(2,6-difluoro-3-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 82819422
2-(4-fluoro-2-methylanilino)-2-methylpropanoic acid
CID 82236348
2-[(5-bromo-2,4-difluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 102854452
2-[(2-bromo-4-iodophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114260802
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820934
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820218
2-[(4-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62820214
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 62821454) is 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid is Cc1cc(F)ccc1NC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is SCMOUDOVBWUUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8-7-9(14)5-6-10(8)15-12(19)16(4)13(2,3)11(17)18/h5-7H,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 268.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).