1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane

C17H26N4O2S — CID 142004668

IUPAC1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane
SMILESCCCC.N#Cc1ccc(CNC(=O)C2CCCN2C(=O)CN)s1
InChIInChI=1S/C13H16N4O2S.C4H10/c14-6-9-3-4-10(20-9)8-16-13(19)11-2-1-5-17(11)12(18)7-15;1-3-4-2/h3-4,11H,1-2,5,7-8,15H2,(H,16,19);3-4H2,1-2H3
InChIKeyIUDVSAJOLZGHAK-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.99
Rot. Bonds5

About 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane

1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane (PubChem CID 142004668) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane.

Molecular Properties

Compound Name1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane
PubChem CID142004668
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane
SMILESCCCC.N#Cc1ccc(CNC(=O)C2CCCN2C(=O)CN)s1
InChIInChI=1S/C13H16N4O2S.C4H10/c14-6-9-3-4-10(20-9)8-16-13(19)11-2-1-5-17(11)12(18)7-15;1-3-4-2/h3-4,11H,1-2,5,7-8,15H2,(H,16,19);3-4H2,1-2H3
InChIKeyIUDVSAJOLZGHAK-UHFFFAOYSA-N
XLogP1.99
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoacetyl)-N-[[5-[(Z)-C-aminocarbonohydrazonoyl]thiophen-2-yl]methyl]pyrrolidine-2-carboxamide;butane
CID 142004694
methyl N-[(2R)-1-[(2S)-2-[(5-cyanothiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 10962348
1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 51085674
(2S)-2-N-[(5-methylthiophen-2-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95336171
1-(2-aminoacetyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 177181720
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
(2S)-1-(2-aminoacetyl)-N-[(6-carbamimidoyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 140983072
(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 124721737
N-[(5-phenylthiophen-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110292509
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide
CID 75010216
(2S)-N-[(2R)-2-cyanopropyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95765004

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane?
The IUPAC name of 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane (CID 142004668) is 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane.
What is the SMILES notation for 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane?
The canonical SMILES for 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane is CCCC.N#Cc1ccc(CNC(=O)C2CCCN2C(=O)CN)s1.
What is the InChIKey of 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane?
The InChIKey is IUDVSAJOLZGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S.C4H10/c14-6-9-3-4-10(20-9)8-16-13(19)11-2-1-5-17(11)12(18)7-15;1-3-4-2/h3-4,11H,1-2,5,7-8,15H2,(H,16,19);3-4H2,1-2H3.
What are the key properties of 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane?
1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane has a molecular weight of 350.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-N-[(5-cyanothiophen-2-yl)methyl]pyrrolidine-2-carboxamide;butane is sourced from PubChem (CID 142004668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).