1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea

C11H20N2O3 — CID 97308195

IUPAC1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC
InChIInChI=1S/C11H20N2O3/c1-4-6-12-11(14)13-8-7-9(16-5-2)10(8)15-3/h4,8-10H,1,5-7H2,2-3H3,(H2,12,13,14)/t8-,9+,10+/m1/s1
InChIKeySYBIAHKRMJJRCN-UTLUCORTSA-N
MW228.29 g/mol
LogP0.66
Rot. Bonds6

About 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea

1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea (PubChem CID 97308195) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea
PubChem CID97308195
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC
InChIInChI=1S/C11H20N2O3/c1-4-6-12-11(14)13-8-7-9(16-5-2)10(8)15-3/h4,8-10H,1,5-7H2,2-3H3,(H2,12,13,14)/t8-,9+,10+/m1/s1
InChIKeySYBIAHKRMJJRCN-UTLUCORTSA-N
XLogP0.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea?
The IUPAC name of 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea (CID 97308195) is 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea is C=CCNC(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC.
What is the InChIKey of 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea?
The InChIKey is SYBIAHKRMJJRCN-UTLUCORTSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-6-12-11(14)13-8-7-9(16-5-2)10(8)15-3/h4,8-10H,1,5-7H2,2-3H3,(H2,12,13,14)/t8-,9+,10+/m1/s1.
What are the key properties of 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea?
1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea has a molecular weight of 228.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3S)-3-ethoxy-2-methoxycyclobutyl]-3-prop-2-enylurea is sourced from PubChem (CID 97308195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).