2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid

C13H17FN2O3 — CID 79049906

IUPAC2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1cc(F)cc(NC(=O)N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C13H17FN2O3/c1-8(2)16(7-12(17)18)13(19)15-11-5-9(3)4-10(14)6-11/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCZYOAJZZUTWGKD-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.46
Rot. Bonds4

About 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid

2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 79049906) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
PubChem CID79049906
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1cc(F)cc(NC(=O)N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C13H17FN2O3/c1-8(2)16(7-12(17)18)13(19)15-11-5-9(3)4-10(14)6-11/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCZYOAJZZUTWGKD-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107265702
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
2-[(2,6-dibromo-4-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61185909
2-[1,3-benzodioxol-5-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 61193838
3-[ethyl-[(3-fluoro-5-methylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79050237
2-[(4-fluoro-2-iodophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 79766999
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
CID 115378571
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl-butan-2-ylamino]acetic acid
CID 107576309
2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 61182416
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79049368
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid (CID 79049906) is 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid is Cc1cc(F)cc(NC(=O)N(CC(=O)O)C(C)C)c1.
What is the InChIKey of 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is CZYOAJZZUTWGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(2)16(7-12(17)18)13(19)15-11-5-9(3)4-10(14)6-11/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 268.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 79049906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).