1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea

C7H12N2O3 — CID 127013922

IUPAC1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea
SMILESCCNC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C7H12N2O3/c1-2-8-7(11)9-5-3-4-12-6(5)10/h5H,2-4H2,1H3,(H2,8,9,11)/t5-/m0/s1
InChIKeyDVEPFEBZKYWRED-YFKPBYRVSA-N
MW172.18 g/mol
LogP-0.38
Rot. Bonds2

About 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea

1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea (PubChem CID 127013922) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea
PubChem CID127013922
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea
SMILESCCNC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C7H12N2O3/c1-2-8-7(11)9-5-3-4-12-6(5)10/h5H,2-4H2,1H3,(H2,8,9,11)/t5-/m0/s1
InChIKeyDVEPFEBZKYWRED-YFKPBYRVSA-N
XLogP-0.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea?
The IUPAC name of 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea (CID 127013922) is 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea is CCNC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea?
The InChIKey is DVEPFEBZKYWRED-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-8-7(11)9-5-3-4-12-6(5)10/h5H,2-4H2,1H3,(H2,8,9,11)/t5-/m0/s1.
What are the key properties of 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea?
1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea has a molecular weight of 172.18 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3S)-2-oxooxolan-3-yl]urea is sourced from PubChem (CID 127013922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).