tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate

C19H23N3O5 — CID 67185938

IUPACtert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-10-6-8-12(22)17(24)21-14-11-7-4-5-9-13(11)26-15(14)16(20)23/h4-5,7,9,12H,6,8,10H2,1-3H3,(H2,20,23)(H,21,24)/t12-/m0/s1
InChIKeyZJAGNGJZKJNAAA-LBPRGKRZSA-N
MW373.41 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 67185938) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID67185938
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nametert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-10-6-8-12(22)17(24)21-14-11-7-4-5-9-13(11)26-15(14)16(20)23/h4-5,7,9,12H,6,8,10H2,1-3H3,(H2,20,23)(H,21,24)/t12-/m0/s1
InChIKeyZJAGNGJZKJNAAA-LBPRGKRZSA-N
XLogP2.87
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797692
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CID 8023967
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11101307
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
tert-butyl (2R)-2-[(3-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 9138621
tert-butyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 11937062
tert-butyl 2-[(3-acetamidophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 51149886
tert-butyl (2R)-2-[[4-(2-phenylethynyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 143190861
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 174205004
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 67185938) is tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1c(C(N)=O)oc2ccccc12.
What is the InChIKey of tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ZJAGNGJZKJNAAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2,3)27-18(25)22-10-6-8-12(22)17(24)21-14-11-7-4-5-9-13(11)26-15(14)16(20)23/h4-5,7,9,12H,6,8,10H2,1-3H3,(H2,20,23)(H,21,24)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67185938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).