[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea

C12H23N3O3 — CID 102785839

IUPAC[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)C(NC(N)=O)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C12H23N3O3/c1-7(2)10(14-12(13)18)11(17)15-5-4-8(3)9(15)6-16/h7-10,16H,4-6H2,1-3H3,(H3,13,14,18)
InChIKeyHCNFEBHPXDHVSF-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.09
Rot. Bonds4

About [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea

[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea (PubChem CID 102785839) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
PubChem CID102785839
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)C(NC(N)=O)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C12H23N3O3/c1-7(2)10(14-12(13)18)11(17)15-5-4-8(3)9(15)6-16/h7-10,16H,4-6H2,1-3H3,(H3,13,14,18)
InChIKeyHCNFEBHPXDHVSF-UHFFFAOYSA-N
XLogP-0.09
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 102785841
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 102784278
2-bromo-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 102778404
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 102783165
2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102780574
N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769970
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102785992
methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
CID 61009967
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
(2S)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-2-carboxylic acid
CID 66263553
N-[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 102737901
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetohydrazide
CID 102784332

Frequently Asked Questions

What is the IUPAC name of [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
The IUPAC name of [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea (CID 102785839) is [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea is CC(C)C(NC(N)=O)C(=O)N1CCC(C)C1CO.
What is the InChIKey of [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
The InChIKey is HCNFEBHPXDHVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-7(2)10(14-12(13)18)11(17)15-5-4-8(3)9(15)6-16/h7-10,16H,4-6H2,1-3H3,(H3,13,14,18).
What are the key properties of [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
[1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea has a molecular weight of 257.33 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 102785839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).