tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate

C17H34N2O3 — CID 103723728

IUPACtert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate
SMILESCOCCC(C)NC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-13(9-11-21-6)18-14(2)12-15-8-7-10-19(15)16(20)22-17(3,4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyBZGLYJDVSDTOPR-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.18
Rot. Bonds7

About tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate (PubChem CID 103723728) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate
PubChem CID103723728
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate
SMILESCOCCC(C)NC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-13(9-11-21-6)18-14(2)12-15-8-7-10-19(15)16(20)22-17(3,4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyBZGLYJDVSDTOPR-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-[2-(hex-1-yn-3-ylamino)propyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate (CID 103723728) is tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate is COCCC(C)NC(C)CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate?
The InChIKey is BZGLYJDVSDTOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-13(9-11-21-6)18-14(2)12-15-8-7-10-19(15)16(20)22-17(3,4)5/h13-15,18H,7-12H2,1-6H3.
What are the key properties of tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate has a molecular weight of 314.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103723728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).