1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea

C14H25N3O3 — CID 95591174

IUPAC1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NC[C@H](O)CN1CCCC1=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(10-17-8-4-7-13(17)19)9-15-14(20)16-11-5-2-1-3-6-11/h11-12,18H,1-10H2,(H2,15,16,20)/t12-/m0/s1
InChIKeySFMWSGSAMCYAHV-LBPRGKRZSA-N
MW283.37 g/mol
LogP0.60
Rot. Bonds5

About 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea

1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 95591174) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID95591174
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NC[C@H](O)CN1CCCC1=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O3/c18-12(10-17-8-4-7-13(17)19)9-15-14(20)16-11-5-2-1-3-6-11/h11-12,18H,1-10H2,(H2,15,16,20)/t12-/m0/s1
InChIKeySFMWSGSAMCYAHV-LBPRGKRZSA-N
XLogP0.60
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 95591174) is 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NC[C@H](O)CN1CCCC1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is SFMWSGSAMCYAHV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-12(10-17-8-4-7-13(17)19)9-15-14(20)16-11-5-2-1-3-6-11/h11-12,18H,1-10H2,(H2,15,16,20)/t12-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 283.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 95591174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).