(2R)-2-(carbamoylamino)-3-fluoropropanoic acid

C4H7FN2O3 — CID 45082005

IUPAC(2R)-2-(carbamoylamino)-3-fluoropropanoic acid
SMILESNC(=O)N[C@@H](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)/t2-/m0/s1
InChIKeyFYTNLCJHUUXQOX-REOHCLBHSA-N
MW150.11 g/mol
LogP-0.92
Rot. Bonds3

About (2R)-2-(carbamoylamino)-3-fluoropropanoic acid

(2R)-2-(carbamoylamino)-3-fluoropropanoic acid (PubChem CID 45082005) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-fluoropropanoic acid.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-fluoropropanoic acid
PubChem CID45082005
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name(2R)-2-(carbamoylamino)-3-fluoropropanoic acid
SMILESNC(=O)N[C@@H](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)/t2-/m0/s1
InChIKeyFYTNLCJHUUXQOX-REOHCLBHSA-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 (2R)-2-(carbamoylamino)-3-fluoropropanoic acid?
The IUPAC name of (2R)-2-(carbamoylamino)-3-fluoropropanoic acid (CID 45082005) is (2R)-2-(carbamoylamino)-3-fluoropropanoic acid.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-fluoropropanoic acid?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-fluoropropanoic acid is NC(=O)N[C@@H](CF)C(=O)O.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-fluoropropanoic acid?
The InChIKey is FYTNLCJHUUXQOX-REOHCLBHSA-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)/t2-/m0/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-fluoropropanoic acid?
(2R)-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 (2R)-2-(carbamoylamino)-3-fluoropropanoic acid is sourced from PubChem (CID 45082005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).