butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate

C19H24N4O4 — CID 19358250

IUPACbutyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
SMILESCCCCOC(=O)CCNC(=O)NC1CCN(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C19H24N4O4/c1-2-3-12-27-17(24)8-10-21-19(26)22-16-9-11-23(18(16)25)15-6-4-14(13-20)5-7-15/h4-7,16H,2-3,8-12H2,1H3,(H2,21,22,26)
InChIKeyVQCLYINRHXMQIY-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.70
Rot. Bonds8

About butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate

butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate (PubChem CID 19358250) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate.

Molecular Properties

Compound Namebutyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
PubChem CID19358250
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Namebutyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
SMILESCCCCOC(=O)CCNC(=O)NC1CCN(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C19H24N4O4/c1-2-3-12-27-17(24)8-10-21-19(26)22-16-9-11-23(18(16)25)15-6-4-14(13-20)5-7-15/h4-7,16H,2-3,8-12H2,1H3,(H2,21,22,26)
InChIKeyVQCLYINRHXMQIY-UHFFFAOYSA-N
XLogP1.70
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 3-[[(3S)-1-[4-(N'-carbamoyloxycarbamimidoyl)phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 173254312
pentyl 3-[[(3S)-1-[4-(N'-carbamoyloxycarbamimidoyl)phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 173254289
pentyl 3-[[(3S)-1-[4-[N'-(dimethylcarbamoyloxy)carbamimidoyl]phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 173254046
ethyl 3-[[(3S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 10948832
ethyl 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 70083317
ethyl 3-[[(3S)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]butanoate
CID 70083534
ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 19609133
methyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 54526275
ethyl 3-[[(3S)-1-[4-[(ethoxycarbonyloxydiazenyl)methyl]phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 57319578
methyl 3-[[(3S)-1-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 57203886
3-[[(3S)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoyl-ethenylamino]propanoic acid
CID 22882876
propan-2-yl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 19358189

Frequently Asked Questions

What is the IUPAC name of butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate?
The IUPAC name of butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate (CID 19358250) is butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate.
What is the SMILES notation for butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate?
The canonical SMILES for butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate is CCCCOC(=O)CCNC(=O)NC1CCN(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate?
The InChIKey is VQCLYINRHXMQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-3-12-27-17(24)8-10-21-19(26)22-16-9-11-23(18(16)25)15-6-4-14(13-20)5-7-15/h4-7,16H,2-3,8-12H2,1H3,(H2,21,22,26).
What are the key properties of butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate?
butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate has a molecular weight of 372.43 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate is sourced from PubChem (CID 19358250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).