2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid

C12H14FN3O4 — CID 107438586

IUPAC2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid
SMILESCN(C(=O)N(CC(N)=O)CC(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FN3O4/c1-15(9-5-3-2-4-8(9)13)12(20)16(6-10(14)17)7-11(18)19/h2-5H,6-7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyKQQHXNFJOCSGQO-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.25
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid (PubChem CID 107438586) has the molecular formula C12H14FN3O4 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid
PubChem CID107438586
Molecular FormulaC12H14FN3O4
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid
SMILESCN(C(=O)N(CC(N)=O)CC(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FN3O4/c1-15(9-5-3-2-4-8(9)13)12(20)16(6-10(14)17)7-11(18)19/h2-5H,6-7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyKQQHXNFJOCSGQO-UHFFFAOYSA-N
XLogP0.25
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 63645119
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395
2-[2-fluoro-N-(3-methylbutanoyl)anilino]acetic acid
CID 28765412
2-[(2-amino-2-oxoethyl)-[ethyl(methyl)carbamoyl]amino]acetic acid
CID 107435153
2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid
CID 107437801
2-[(2-fluorophenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186185
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027756
4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
CID 115157287

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid (CID 107438586) is 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid is CN(C(=O)N(CC(N)=O)CC(=O)O)c1ccccc1F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid?
The InChIKey is KQQHXNFJOCSGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4/c1-15(9-5-3-2-4-8(9)13)12(20)16(6-10(14)17)7-11(18)19/h2-5H,6-7H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid has a molecular weight of 283.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107438586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).