2-(carbamoylamino)-2-fluoropropanoic acid

C4H7FN2O3 — CID 54428674

IUPAC2-(carbamoylamino)-2-fluoropropanoic acid
SMILESCC(F)(NC(N)=O)C(=O)O
InChIInChI=1S/C4H7FN2O3/c1-4(5,2(8)9)7-3(6)10/h1H3,(H,8,9)(H3,6,7,10)
InChIKeyWFYDUNIAOSDPNJ-UHFFFAOYSA-N
MW150.11 g/mol
LogP-0.57
Rot. Bonds2

About 2-(carbamoylamino)-2-fluoropropanoic acid

2-(carbamoylamino)-2-fluoropropanoic acid (PubChem CID 54428674) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-(carbamoylamino)-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-2-fluoropropanoic acid
PubChem CID54428674
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-(carbamoylamino)-2-fluoropropanoic acid
SMILESCC(F)(NC(N)=O)C(=O)O
InChIInChI=1S/C4H7FN2O3/c1-4(5,2(8)9)7-3(6)10/h1H3,(H,8,9)(H3,6,7,10)
InChIKeyWFYDUNIAOSDPNJ-UHFFFAOYSA-N
XLogP-0.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(Carbamoylamino)-2-methylpropanoic acid
CID 4155322
2-Amino-2-(3-fluoropropanoylamino)butanoic acid
CID 87091630
2-Amino-2-(3-fluoropropanoylamino)propanoic acid
CID 87220783
2-Amino-2-(2-fluoropropanoylamino)butanoic acid
CID 140553952
2-Amino-2-(2-fluoropropanoylamino)propanoic acid
CID 140553955
2-(Chlorocarbamoylamino)-2-methylpropanoic acid
CID 139246199
N-Carbamoyl-3-fluoro-L-alanine
CID 19009299
(2R)-2-(carbamoylamino)-3-fluoropropanoic acid
CID 45082005
2-(Carbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792362
2-(Tert-butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792465
(2R)-2-(carbamoylamino)-2-fluoropropanoic acid
CID 102601187
2-Acetamido-2-aminopropanoic acid
CID 22254270

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-2-fluoropropanoic acid?
The IUPAC name of 2-(carbamoylamino)-2-fluoropropanoic acid (CID 54428674) is 2-(carbamoylamino)-2-fluoropropanoic acid.
What is the SMILES notation for 2-(carbamoylamino)-2-fluoropropanoic acid?
The canonical SMILES for 2-(carbamoylamino)-2-fluoropropanoic acid is CC(F)(NC(N)=O)C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-2-fluoropropanoic acid?
The InChIKey is WFYDUNIAOSDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O3/c1-4(5,2(8)9)7-3(6)10/h1H3,(H,8,9)(H3,6,7,10).
What are the key properties of 2-(carbamoylamino)-2-fluoropropanoic acid?
2-(carbamoylamino)-2-fluoropropanoic acid has a molecular weight of 150.11 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-2-fluoropropanoic acid is sourced from PubChem (CID 54428674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).