2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid

C12H15FN2O3 — CID 62813606

IUPAC2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C12H15FN2O3/c1-3-15(7-11(16)17)12(18)14-9-4-5-10(13)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPSSATZBIELUVRR-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.07
Rot. Bonds4

About 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid

2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 62813606) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID62813606
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C12H15FN2O3/c1-3-15(7-11(16)17)12(18)14-9-4-5-10(13)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPSSATZBIELUVRR-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
CID 63180254
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-ethylamino]acetic acid
CID 107576369
2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl(ethyl)amino]acetic acid
CID 61185393
2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
CID 62809193
1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 118766238
2-[(3-fluoro-4-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263446
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
2-[(4-bromo-3-fluorophenyl)carbamoyl-propylamino]acetic acid
CID 65437389
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl(ethyl)amino]acetic acid
CID 61181060
1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 79161967

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid (CID 62813606) is 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is PSSATZBIELUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-15(7-11(16)17)12(18)14-9-4-5-10(13)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid?
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 254.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 62813606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).