(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea

C11H21N3O2 — CID 60634981

IUPAC(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCCC1
InChIInChI=1S/C11H21N3O2/c1-3-8(2)9(13-11(12)16)10(15)14-6-4-5-7-14/h8-9H,3-7H2,1-2H3,(H3,12,13,16)
InChIKeyJWDOQPQDZZLNJB-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds4

About (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea

(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea (PubChem CID 60634981) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea.

Molecular Properties

Compound Name(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
PubChem CID60634981
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCCC1
InChIInChI=1S/C11H21N3O2/c1-3-8(2)9(13-11(12)16)10(15)14-6-4-5-7-14/h8-9H,3-7H2,1-2H3,(H3,12,13,16)
InChIKeyJWDOQPQDZZLNJB-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 43391802
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 112627448
1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
CID 43171082
1-[2-(carbamoylamino)-3-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720993
[(2S,3S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 41307290
[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 4282020
[(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 7918845
1-(2-aminoacetyl)-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
CID 70338404
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea?
The IUPAC name of (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea (CID 60634981) is (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea.
What is the SMILES notation for (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea?
The canonical SMILES for (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea is CCC(C)C(NC(N)=O)C(=O)N1CCCC1.
What is the InChIKey of (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea?
The InChIKey is JWDOQPQDZZLNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-8(2)9(13-11(12)16)10(15)14-6-4-5-7-14/h8-9H,3-7H2,1-2H3,(H3,12,13,16).
What are the key properties of (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea?
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea has a molecular weight of 227.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea is sourced from PubChem (CID 60634981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).