tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate

C19H30N2O5 — CID 134839793

IUPACtert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC=CN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O5/c1-18(2,3)25-16(23)14-10-8-11-20(14)15(22)13-9-7-12-21(13)17(24)26-19(4,5)6/h8,11,13-14H,7,9-10,12H2,1-6H3/t13-,14-/m0/s1
InChIKeyPPAHQEQPCWDYGV-KBPBESRZSA-N
MW366.46 g/mol
LogP2.84
Rot. Bonds2

About tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate

tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate (PubChem CID 134839793) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate
PubChem CID134839793
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC=CN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O5/c1-18(2,3)25-16(23)14-10-8-11-20(14)15(22)13-9-7-12-21(13)17(24)26-19(4,5)6/h8,11,13-14H,7,9-10,12H2,1-6H3/t13-,14-/m0/s1
InChIKeyPPAHQEQPCWDYGV-KBPBESRZSA-N
XLogP2.84
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-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

tert-butyl (2S,3R)-3-ethenyl-2-[5-methylhex-1-en-3-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 164674605
tert-butyl (2S,3R)-3-ethenyl-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]pyrrolidine-1-carboxylate
CID 23726710
tert-butyl (2S,3R)-2-[but-3-enyl-(2-methoxy-2-oxoethyl)carbamoyl]-3-ethenylpyrrolidine-1-carboxylate
CID 23726711
tert-butyl (2S,3R)-3-ethenyl-2-[(2-methoxy-2-oxoethyl)-pent-4-enylcarbamoyl]pyrrolidine-1-carboxylate
CID 23726712
tert-butyl (2S,3S)-2-[(2-methoxy-2-oxoethyl)-prop-2-enylcarbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate
CID 23726713
tert-butyl (2S,3S)-2-[but-3-enyl-(2-methoxy-2-oxoethyl)carbamoyl]-3-prop-2-enylpyrrolidine-1-carboxylate
CID 23726714
tert-butyl 2-[[(2S)-1-[(2S)-2-aminopent-4-enoyl]pyrrolidine-2-carbonyl]-prop-2-enylamino]acetate
CID 101808775
tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate
CID 102460213
Tert-butyl 2-[(1-methoxy-1-oxohex-5-en-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 141984993
ethyl 3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate
CID 143443531
tert-butyl (2S)-2-[[(2R)-1-ethoxy-1-oxopent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 144295149
Methyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]pent-4-enoate
CID 144570683

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate (CID 134839793) is tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CC=CN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
The InChIKey is PPAHQEQPCWDYGV-KBPBESRZSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-18(2,3)25-16(23)14-10-8-11-20(14)15(22)13-9-7-12-21(13)17(24)26-19(4,5)6/h8,11,13-14H,7,9-10,12H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate is sourced from PubChem (CID 134839793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).