tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate

C20H37N3O4 — CID 144562783

IUPACtert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate
SMILESCCC[C@H]1CCN(C(=O)C(NC(=O)CN)C(C)(C)C)[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C20H37N3O4/c1-8-9-13-10-11-23(15(13)18(26)27-20(5,6)7)17(25)16(19(2,3)4)22-14(24)12-21/h13,15-16H,8-12,21H2,1-7H3,(H,22,24)/t13-,15-,16?/m0/s1
InChIKeyCLOMADMCSPESPW-JFXOEICMSA-N
MW383.53 g/mol
LogP1.83
Rot. Bonds6

About tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate

tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate (PubChem CID 144562783) has the molecular formula C20H37N3O4 and a molecular weight of 383.53 g/mol. Its IUPAC name is tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate
PubChem CID144562783
Molecular FormulaC20H37N3O4
Molecular Weight383.53 g/mol
Exact Mass383.28
IUPAC Nametert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate
SMILESCCC[C@H]1CCN(C(=O)C(NC(=O)CN)C(C)(C)C)[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C20H37N3O4/c1-8-9-13-10-11-23(15(13)18(26)27-20(5,6)7)17(25)16(19(2,3)4)22-14(24)12-21/h13,15-16H,8-12,21H2,1-7H3,(H,22,24)/t13-,15-,16?/m0/s1
InChIKeyCLOMADMCSPESPW-JFXOEICMSA-N
XLogP1.83
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-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

(2S,3R)-1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3-ethylpyrrolidine-2-carboxylic acid
CID 170165765
[(2S)-1-[(2S,3R)-2-carbamoyl-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 131996811
ditert-butyl (2S,3R)-3-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 15342156
(2S,3R)-1-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-ethylpyrrolidine-2-carboxylic acid
CID 169193487
tert-butyl N-[(2S)-1-[(1S,4S)-5-(2-aminoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 70254788
ethyl 1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 143105469
methyl (2S,3R)-1-[(2S)-3,3-dimethyl-2-(propylphosphanylcarbamoylamino)butanoyl]-3-ethenylpyrrolidine-2-carboxylate
CID 143359448
methyl 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3,4-diethylpyrrolidine-2-carboxylate
CID 91583270
tert-butyl N-[1-(2-acetylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;propane
CID 142573065
(2R,3S)-3-(2-cyclopropylethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 129463329
tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
CID 84804762
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate (CID 144562783) is tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate is CCC[C@H]1CCN(C(=O)C(NC(=O)CN)C(C)(C)C)[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate?
The InChIKey is CLOMADMCSPESPW-JFXOEICMSA-N. The full InChI is InChI=1S/C20H37N3O4/c1-8-9-13-10-11-23(15(13)18(26)27-20(5,6)7)17(25)16(19(2,3)4)22-14(24)12-21/h13,15-16H,8-12,21H2,1-7H3,(H,22,24)/t13-,15-,16?/m0/s1.
What are the key properties of tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate?
tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate has a molecular weight of 383.53 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-1-[2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoyl]-3-propylpyrrolidine-2-carboxylate is sourced from PubChem (CID 144562783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).