1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea

C10H19N3O2 — CID 66196137

IUPAC1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C10H19N3O2/c1-5(2)12-10(14)13-8-7(11)6-3-4-15-9(6)8/h5-9H,3-4,11H2,1-2H3,(H2,12,13,14)
InChIKeyZSHXMNBKNRFQHN-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.19
Rot. Bonds2

About 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea (PubChem CID 66196137) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea
PubChem CID66196137
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C10H19N3O2/c1-5(2)12-10(14)13-8-7(11)6-3-4-15-9(6)8/h5-9H,3-4,11H2,1-2H3,(H2,12,13,14)
InChIKeyZSHXMNBKNRFQHN-UHFFFAOYSA-N
XLogP-0.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea (CID 66196137) is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1C(N)C2CCOC21.
What is the InChIKey of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea?
The InChIKey is ZSHXMNBKNRFQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5(2)12-10(14)13-8-7(11)6-3-4-15-9(6)8/h5-9H,3-4,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea?
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea has a molecular weight of 213.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-propan-2-ylurea is sourced from PubChem (CID 66196137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).