2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid

C10H11FN2O3 — CID 16780933

IUPAC2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1cccc(F)c1
InChIInChI=1S/C10H11FN2O3/c11-8-3-1-2-7(4-8)5-12-10(16)13-6-9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16)
InChIKeyLSEFZOWQFNYISY-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.71
Rot. Bonds4

About 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid

2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid (PubChem CID 16780933) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
PubChem CID16780933
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCc1cccc(F)c1
InChIInChI=1S/C10H11FN2O3/c11-8-3-1-2-7(4-8)5-12-10(16)13-6-9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16)
InChIKeyLSEFZOWQFNYISY-UHFFFAOYSA-N
XLogP0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2-[(3-cyanophenyl)methylcarbamoylamino]acetic acid
CID 16795379
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
6-[(3-fluorophenyl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447390
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]butanoic acid
CID 65218757
1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
CID 108909716

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid (CID 16780933) is 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid?
The InChIKey is LSEFZOWQFNYISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-8-3-1-2-7(4-8)5-12-10(16)13-6-9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid?
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid has a molecular weight of 226.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 16780933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).