1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea

C18H20N2O3 — CID 166321250

IUPAC1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea
SMILESO=C(N[C@H]1COC[C@H]1O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O3/c21-17-10-23-9-16(17)20-18(22)19-15-8-14(15)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-17,21H,8-10H2,(H2,19,20,22)/t14-,15+,16-,17+/m0/s1
InChIKeyGBGWUKBTVOQZAJ-VVLHAWIVSA-N
MW312.37 g/mol
LogP1.75
Rot. Bonds3

About 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea

1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea (PubChem CID 166321250) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea.

Molecular Properties

Compound Name1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea
PubChem CID166321250
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea
SMILESO=C(N[C@H]1COC[C@H]1O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O3/c21-17-10-23-9-16(17)20-18(22)19-15-8-14(15)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-17,21H,8-10H2,(H2,19,20,22)/t14-,15+,16-,17+/m0/s1
InChIKeyGBGWUKBTVOQZAJ-VVLHAWIVSA-N
XLogP1.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea?
The IUPAC name of 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea (CID 166321250) is 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea.
What is the SMILES notation for 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea?
The canonical SMILES for 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea is O=C(N[C@H]1COC[C@H]1O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea?
The InChIKey is GBGWUKBTVOQZAJ-VVLHAWIVSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-10-23-9-16(17)20-18(22)19-15-8-14(15)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-17,21H,8-10H2,(H2,19,20,22)/t14-,15+,16-,17+/m0/s1.
What are the key properties of 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea?
1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea has a molecular weight of 312.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-hydroxyoxolan-3-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea is sourced from PubChem (CID 166321250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).