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

C4H7FN2O3 — CID 102601187

IUPAC(2R)-2-(carbamoylamino)-2-fluoropropanoic acid
SMILESC[C@](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)/t4-/m0/s1
InChIKeyWFYDUNIAOSDPNJ-BYPYZUCNSA-N
MW150.11 g/mol
LogP-0.57
Rot. Bonds2

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

(2R)-2-(carbamoylamino)-2-fluoropropanoic acid (PubChem CID 102601187) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-2-fluoropropanoic acid.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-2-fluoropropanoic acid
PubChem CID102601187
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name(2R)-2-(carbamoylamino)-2-fluoropropanoic acid
SMILESC[C@](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)/t4-/m0/s1
InChIKeyWFYDUNIAOSDPNJ-BYPYZUCNSA-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

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(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
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2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
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(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
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2,2-difluoropropylurea
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2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid chloride
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carbamic acid;2,2-difluoro-3-methylbutane
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2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
diaminomethylideneazanium;2,2,2-trifluoroacetic acid
CID 159933368
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-2-fluoropropanoic acid?
The IUPAC name of (2R)-2-(carbamoylamino)-2-fluoropropanoic acid (CID 102601187) is (2R)-2-(carbamoylamino)-2-fluoropropanoic acid.
What is the SMILES notation for (2R)-2-(carbamoylamino)-2-fluoropropanoic acid?
The canonical SMILES for (2R)-2-(carbamoylamino)-2-fluoropropanoic acid is C[C@](F)(NC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-(carbamoylamino)-2-fluoropropanoic acid?
The InChIKey is WFYDUNIAOSDPNJ-BYPYZUCNSA-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)/t4-/m0/s1.
What are the key properties of (2R)-2-(carbamoylamino)-2-fluoropropanoic acid?
(2R)-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 (2R)-2-(carbamoylamino)-2-fluoropropanoic acid is sourced from PubChem (CID 102601187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).