1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea

C15H22N4O2 — CID 97006096

IUPAC1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCC(C)(C)N1C[C@H](NC(=O)NCc2cccnc2)CC1=O
InChIInChI=1S/C15H22N4O2/c1-15(2,3)19-10-12(7-13(19)20)18-14(21)17-9-11-5-4-6-16-8-11/h4-6,8,12H,7,9-10H2,1-3H3,(H2,17,18,21)/t12-/m1/s1
InChIKeyMNUYSMPFVWXTRA-GFCCVEGCSA-N
MW290.37 g/mol
LogP1.28
Rot. Bonds3

About 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea

1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 97006096) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID97006096
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
SMILESCC(C)(C)N1C[C@H](NC(=O)NCc2cccnc2)CC1=O
InChIInChI=1S/C15H22N4O2/c1-15(2,3)19-10-12(7-13(19)20)18-14(21)17-9-11-5-4-6-16-8-11/h4-6,8,12H,7,9-10H2,1-3H3,(H2,17,18,21)/t12-/m1/s1
InChIKeyMNUYSMPFVWXTRA-GFCCVEGCSA-N
XLogP1.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea (CID 97006096) is 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea is CC(C)(C)N1C[C@H](NC(=O)NCc2cccnc2)CC1=O.
What is the InChIKey of 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is MNUYSMPFVWXTRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)19-10-12(7-13(19)20)18-14(21)17-9-11-5-4-6-16-8-11/h4-6,8,12H,7,9-10H2,1-3H3,(H2,17,18,21)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea?
1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 290.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 97006096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).