N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide

C11H21N3O2 — CID 63139989

IUPACN-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCC(N)=O)CCNC1
InChIInChI=1S/C11H21N3O2/c1-2-11(5-7-13-8-11)10(16)14-6-3-4-9(12)15/h13H,2-8H2,1H3,(H2,12,15)(H,14,16)
InChIKeyWMVLNIBIIAYRDI-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.24
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide

N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63139989) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID63139989
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCC(N)=O)CCNC1
InChIInChI=1S/C11H21N3O2/c1-2-11(5-7-13-8-11)10(16)14-6-3-4-9(12)15/h13H,2-8H2,1H3,(H2,12,15)(H,14,16)
InChIKeyWMVLNIBIIAYRDI-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.24
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

ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
CID 106134765
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115750111
4-ethyl-N-octylpiperidine-4-carboxamide
CID 115567946
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-ethylpiperidine-3-carboxamide
CID 106236645
3-ethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 64531930

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide (CID 63139989) is N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NCCCC(N)=O)CCNC1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is WMVLNIBIIAYRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-11(5-7-13-8-11)10(16)14-6-3-4-9(12)15/h13H,2-8H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide?
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).