1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea

C4H9FN4O — CID 139683825

IUPAC1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea
SMILESNNC(=O)NN[C@H]1C[C@@H]1F
InChIInChI=1S/C4H9FN4O/c5-2-1-3(2)8-9-4(10)7-6/h2-3,8H,1,6H2,(H2,7,9,10)/t2-,3-/m0/s1
InChIKeyUHZLUTNRQNKZQF-HRFVKAFMSA-N
MW148.14 g/mol
LogP-1.23
Rot. Bonds2

About 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea

1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea (PubChem CID 139683825) has the molecular formula C4H9FN4O and a molecular weight of 148.14 g/mol. Its IUPAC name is 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea.

Molecular Properties

Compound Name1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea
PubChem CID139683825
Molecular FormulaC4H9FN4O
Molecular Weight148.14 g/mol
Exact Mass148.08
IUPAC Name1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea
SMILESNNC(=O)NN[C@H]1C[C@@H]1F
InChIInChI=1S/C4H9FN4O/c5-2-1-3(2)8-9-4(10)7-6/h2-3,8H,1,6H2,(H2,7,9,10)/t2-,3-/m0/s1
InChIKeyUHZLUTNRQNKZQF-HRFVKAFMSA-N
XLogP-1.23
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea?
The IUPAC name of 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea (CID 139683825) is 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea.
What is the SMILES notation for 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea?
The canonical SMILES for 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea is NNC(=O)NN[C@H]1C[C@@H]1F.
What is the InChIKey of 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea?
The InChIKey is UHZLUTNRQNKZQF-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H9FN4O/c5-2-1-3(2)8-9-4(10)7-6/h2-3,8H,1,6H2,(H2,7,9,10)/t2-,3-/m0/s1.
What are the key properties of 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea?
1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea has a molecular weight of 148.14 g/mol, XLogP of -1.23, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[(1S,2S)-2-fluorocyclopropyl]amino]urea is sourced from PubChem (CID 139683825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).