2-(carbamoylamino)-3-fluoropropanoic acid

C4H7FN2O3 — CID 19009299

IUPAC2-(carbamoylamino)-3-fluoropropanoic acid
SMILESNC(=O)NC(CF)C(=O)O
InChIInChI=1S/C4H7FN2O3/c5-1-2(3(8)9)7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)
InChIKeyFYTNLCJHUUXQOX-UHFFFAOYSA-N
MW150.11 g/mol
LogP-0.92
Rot. Bonds3

About 2-(carbamoylamino)-3-fluoropropanoic acid

2-(carbamoylamino)-3-fluoropropanoic acid (PubChem CID 19009299) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-3-fluoropropanoic acid
PubChem CID19009299
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-(carbamoylamino)-3-fluoropropanoic acid
SMILESNC(=O)NC(CF)C(=O)O
InChIInChI=1S/C4H7FN2O3/c5-1-2(3(8)9)7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)
InChIKeyFYTNLCJHUUXQOX-UHFFFAOYSA-N
XLogP-0.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-fluoropropanoic acid?
The IUPAC name of 2-(carbamoylamino)-3-fluoropropanoic acid (CID 19009299) is 2-(carbamoylamino)-3-fluoropropanoic acid.
What is the SMILES notation for 2-(carbamoylamino)-3-fluoropropanoic acid?
The canonical SMILES for 2-(carbamoylamino)-3-fluoropropanoic acid is NC(=O)NC(CF)C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-3-fluoropropanoic acid?
The InChIKey is FYTNLCJHUUXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O3/c5-1-2(3(8)9)7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10).
What are the key properties of 2-(carbamoylamino)-3-fluoropropanoic acid?
2-(carbamoylamino)-3-fluoropropanoic acid has a molecular weight of 150.11 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-fluoropropanoic acid is sourced from PubChem (CID 19009299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).