1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea

C7H13N3O5 — CID 100968710

IUPAC1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea
SMILESNC(=O)NC(=O)N[C@@H]1C[C@H](O)[C@@H](O)CO1
InChIInChI=1S/C7H13N3O5/c8-6(13)10-7(14)9-5-1-3(11)4(12)2-15-5/h3-5,11-12H,1-2H2,(H4,8,9,10,13,14)/t3-,4-,5-/m0/s1
InChIKeyYEHOWVOKNBCKCU-YUPRTTJUSA-N
MW219.20 g/mol
LogP-2.17
Rot. Bonds1

About 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea

1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea (PubChem CID 100968710) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea.

Molecular Properties

Compound Name1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea
PubChem CID100968710
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea
SMILESNC(=O)NC(=O)N[C@@H]1C[C@H](O)[C@@H](O)CO1
InChIInChI=1S/C7H13N3O5/c8-6(13)10-7(14)9-5-1-3(11)4(12)2-15-5/h3-5,11-12H,1-2H2,(H4,8,9,10,13,14)/t3-,4-,5-/m0/s1
InChIKeyYEHOWVOKNBCKCU-YUPRTTJUSA-N
XLogP-2.17
TPSA133.91 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea?
The IUPAC name of 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea (CID 100968710) is 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea.
What is the SMILES notation for 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea?
The canonical SMILES for 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea is NC(=O)NC(=O)N[C@@H]1C[C@H](O)[C@@H](O)CO1.
What is the InChIKey of 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea?
The InChIKey is YEHOWVOKNBCKCU-YUPRTTJUSA-N. The full InChI is InChI=1S/C7H13N3O5/c8-6(13)10-7(14)9-5-1-3(11)4(12)2-15-5/h3-5,11-12H,1-2H2,(H4,8,9,10,13,14)/t3-,4-,5-/m0/s1.
What are the key properties of 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea?
1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea has a molecular weight of 219.20 g/mol, XLogP of -2.17, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]urea is sourced from PubChem (CID 100968710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).