[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea

C11H21N3O3 — CID 72896885

IUPAC[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea
SMILESCC(C)[C@]1(O)CN(C(=O)CNC(N)=O)C[C@H]1C
InChIInChI=1S/C11H21N3O3/c1-7(2)11(17)6-14(5-8(11)3)9(15)4-13-10(12)16/h7-8,17H,4-6H2,1-3H3,(H3,12,13,16)/t8-,11-/m1/s1
InChIKeyVGVUSFGERDPYPQ-LDYMZIIASA-N
MW243.31 g/mol
LogP-0.48
Rot. Bonds3

About [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea

[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea (PubChem CID 72896885) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea
PubChem CID72896885
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea
SMILESCC(C)[C@]1(O)CN(C(=O)CNC(N)=O)C[C@H]1C
InChIInChI=1S/C11H21N3O3/c1-7(2)11(17)6-14(5-8(11)3)9(15)4-13-10(12)16/h7-8,17H,4-6H2,1-3H3,(H3,12,13,16)/t8-,11-/m1/s1
InChIKeyVGVUSFGERDPYPQ-LDYMZIIASA-N
XLogP-0.48
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea (CID 72896885) is [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea is CC(C)[C@]1(O)CN(C(=O)CNC(N)=O)C[C@H]1C.
What is the InChIKey of [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea?
The InChIKey is VGVUSFGERDPYPQ-LDYMZIIASA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)11(17)6-14(5-8(11)3)9(15)4-13-10(12)16/h7-8,17H,4-6H2,1-3H3,(H3,12,13,16)/t8-,11-/m1/s1.
What are the key properties of [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea?
[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea has a molecular weight of 243.31 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 72896885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).