1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea

C16H23N3O3 — CID 75410016

IUPAC1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)Nc1ccccc1
InChIInChI=1S/C16H23N3O3/c20-15-13(18-11-7-4-8-11)10-22-14(15)9-17-16(21)19-12-5-2-1-3-6-12/h1-3,5-6,11,13-15,18,20H,4,7-10H2,(H2,17,19,21)/t13-,14-,15+/m1/s1
InChIKeyQXRKWIURBHZRAS-KFWWJZLASA-N
MW305.38 g/mol
LogP1.08
Rot. Bonds5

About 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea

1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea (PubChem CID 75410016) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea
PubChem CID75410016
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)Nc1ccccc1
InChIInChI=1S/C16H23N3O3/c20-15-13(18-11-7-4-8-11)10-22-14(15)9-17-16(21)19-12-5-2-1-3-6-12/h1-3,5-6,11,13-15,18,20H,4,7-10H2,(H2,17,19,21)/t13-,14-,15+/m1/s1
InChIKeyQXRKWIURBHZRAS-KFWWJZLASA-N
XLogP1.08
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea (CID 75410016) is 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea is O=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)Nc1ccccc1.
What is the InChIKey of 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
The InChIKey is QXRKWIURBHZRAS-KFWWJZLASA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-13(18-11-7-4-8-11)10-22-14(15)9-17-16(21)19-12-5-2-1-3-6-12/h1-3,5-6,11,13-15,18,20H,4,7-10H2,(H2,17,19,21)/t13-,14-,15+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea has a molecular weight of 305.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 75410016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).