tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate

C14H18N2O4S — CID 168696019

IUPACtert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccsc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C14H18N2O4S/c1-14(2,3)20-13(19)9-4-5-21-12(9)16-7-8(11(15)18)6-10(16)17/h4-5,8H,6-7H2,1-3H3,(H2,15,18)
InChIKeyGNPCBBQGKDCXAK-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.54
Rot. Bonds3

About tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate

tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate (PubChem CID 168696019) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate
PubChem CID168696019
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Nametert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccsc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C14H18N2O4S/c1-14(2,3)20-13(19)9-4-5-21-12(9)16-7-8(11(15)18)6-10(16)17/h4-5,8H,6-7H2,1-3H3,(H2,15,18)
InChIKeyGNPCBBQGKDCXAK-UHFFFAOYSA-N
XLogP1.54
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate 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

ethyl 2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 168669845
methyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
CID 168507386
methyl 2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 168670063
[1-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680528
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
methyl 2-amino-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)benzoate
CID 168696431
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoate
CID 168696403
1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
methyl 3-bromo-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-methylbenzoate
CID 168696674
5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698501

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
The IUPAC name of tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate (CID 168696019) is tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
The canonical SMILES for tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate is CC(C)(C)OC(=O)c1ccsc1N1CC(C(N)=O)CC1=O.
What is the InChIKey of tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
The InChIKey is GNPCBBQGKDCXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-14(2,3)20-13(19)9-4-5-21-12(9)16-7-8(11(15)18)6-10(16)17/h4-5,8H,6-7H2,1-3H3,(H2,15,18).
What are the key properties of tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate?
tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate has a molecular weight of 310.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)thiophene-3-carboxylate is sourced from PubChem (CID 168696019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).