tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

C15H28N2O4 — CID 115537691

IUPACtert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCOCCNC(=O)C(C)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11(13(18)16-8-10-20-5)17-9-6-7-12(17)14(19)21-15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,18)/t11?,12-/m1/s1
InChIKeySSVQEVOOQKMTAE-PIJUOVFKSA-N
MW300.40 g/mol
LogP0.94
Rot. Bonds6

About tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (PubChem CID 115537691) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
PubChem CID115537691
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCOCCNC(=O)C(C)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11(13(18)16-8-10-20-5)17-9-6-7-12(17)14(19)21-15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,18)/t11?,12-/m1/s1
InChIKeySSVQEVOOQKMTAE-PIJUOVFKSA-N
XLogP0.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537692
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
tert-butyl (2S)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537272
tert-butyl (2S)-1-(1-ethoxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylate
CID 115537254
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63759350
methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115536975
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (CID 115537691) is tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is COCCNC(=O)C(C)N1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is SSVQEVOOQKMTAE-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(13(18)16-8-10-20-5)17-9-6-7-12(17)14(19)21-15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,18)/t11?,12-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115537691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).