tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate

C15H31N3O2 — CID 102730438

IUPACtert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
SMILESCC(C)C1CCN(C(CN)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-11(2)12-6-7-18(10-12)13(8-16)9-17-14(19)20-15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyGLLJCWQTPBPXQU-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.82
Rot. Bonds5

About tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate

tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate (PubChem CID 102730438) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
PubChem CID102730438
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
SMILESCC(C)C1CCN(C(CN)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-11(2)12-6-7-18(10-12)13(8-16)9-17-14(19)20-15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyGLLJCWQTPBPXQU-UHFFFAOYSA-N
XLogP1.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate (CID 102730438) is tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate is CC(C)C1CCN(C(CN)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate?
The InChIKey is GLLJCWQTPBPXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-11(2)12-6-7-18(10-12)13(8-16)9-17-14(19)20-15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate?
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate is sourced from PubChem (CID 102730438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).