N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C11H16N2O3 — CID 47021847

IUPACN-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC1CC1
InChIInChI=1S/C11H16N2O3/c14-9(12-7-8-1-2-8)5-6-13-10(15)3-4-11(13)16/h8H,1-7H2,(H,12,14)
InChIKeyOBWRJTVBTPDYNB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 47021847) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID47021847
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC1CC1
InChIInChI=1S/C11H16N2O3/c14-9(12-7-8-1-2-8)5-6-13-10(15)3-4-11(13)16/h8H,1-7H2,(H,12,14)
InChIKeyOBWRJTVBTPDYNB-UHFFFAOYSA-N
XLogP0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 55427385
N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
CID 119777904
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 104857888
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 66169212
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 59828138
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutanoic acid
CID 81063012
1-[[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445266
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43446555

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 47021847) is N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is OBWRJTVBTPDYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9(12-7-8-1-2-8)5-6-13-10(15)3-4-11(13)16/h8H,1-7H2,(H,12,14).
What are the key properties of N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 47021847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).