tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate

C15H28N2O3 — CID 96519465

IUPACtert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCN1C[C@@H]1CCCO1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16-10-12-6-4-8-17(12)11-13-7-5-9-19-13/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyXCQXOLUPBNJIQX-OLZOCXBDSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds4

About tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate

tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate (PubChem CID 96519465) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate
PubChem CID96519465
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCN1C[C@@H]1CCCO1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16-10-12-6-4-8-17(12)11-13-7-5-9-19-13/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyXCQXOLUPBNJIQX-OLZOCXBDSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79545987
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]carbamate
CID 10800963
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate
CID 100839544
tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
CID 10684329
tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
CID 97308407
tert-butyl N-[[(2R)-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97174574
ditert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]diazinane-1,2-dicarboxylate
CID 25180624
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate (CID 96519465) is tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCCN1C[C@@H]1CCCO1.
What is the InChIKey of tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is XCQXOLUPBNJIQX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16-10-12-6-4-8-17(12)11-13-7-5-9-19-13/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 96519465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).