1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea

C10H20N4O2 — CID 107529858

IUPAC1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
SMILESCN(C)C(=O)NCCNCC1CCC(=O)N1
InChIInChI=1S/C10H20N4O2/c1-14(2)10(16)12-6-5-11-7-8-3-4-9(15)13-8/h8,11H,3-7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyLBFCEHIUHHDCLG-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.87
Rot. Bonds5

About 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea

1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea (PubChem CID 107529858) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
PubChem CID107529858
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
SMILESCN(C)C(=O)NCCNCC1CCC(=O)N1
InChIInChI=1S/C10H20N4O2/c1-14(2)10(16)12-6-5-11-7-8-3-4-9(15)13-8/h8,11H,3-7H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyLBFCEHIUHHDCLG-UHFFFAOYSA-N
XLogP-0.87
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(2S)-aminobutyryl-L-proline (R)-sec-butylamide
CID 11579736
(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 9549203
Pyrrolidine-1,2-dicarboxylic acid 2-butylamide 1-cyclohexylamide
CID 3221232
Glycinamide, glycyl-prolyl-
CID 456396
1-Methyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 655916
(S)-N,N-Diethyl-5-oxopyrrolidine-2-carboxamide
CID 13210764
L-pyroglutamic acid n-butyl amide
CID 15486634
N-[2-[Bis(1-methylethyl)amino]ethyl]-2-methyl-5-oxo-1-pyrrolidineacetamide
CID 44374465
Ac-Ala-Cit-Ala-NH2
CID 54767554

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea (CID 107529858) is 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea is CN(C)C(=O)NCCNCC1CCC(=O)N1.
What is the InChIKey of 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea?
The InChIKey is LBFCEHIUHHDCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-14(2)10(16)12-6-5-11-7-8-3-4-9(15)13-8/h8,11H,3-7H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea?
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea has a molecular weight of 228.30 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea is sourced from PubChem (CID 107529858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).