[1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate

C17H27N3O3 — CID 155168145

IUPAC[1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(C[C@H]1CCN(c2cncc(C(C)(C)O)c2)C1)OC(N)=O
InChIInChI=1S/C17H27N3O3/c1-16(2,23-15(18)21)8-12-5-6-20(11-12)14-7-13(9-19-10-14)17(3,4)22/h7,9-10,12,22H,5-6,8,11H2,1-4H3,(H2,18,21)/t12-/m1/s1
InChIKeyWUWYWJOUKRRPIB-GFCCVEGCSA-N
MW321.42 g/mol
LogP2.40
Rot. Bonds5

About [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate

[1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 155168145) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate
PubChem CID155168145
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name[1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(C[C@H]1CCN(c2cncc(C(C)(C)O)c2)C1)OC(N)=O
InChIInChI=1S/C17H27N3O3/c1-16(2,23-15(18)21)8-12-5-6-20(11-12)14-7-13(9-19-10-14)17(3,4)22/h7,9-10,12,22H,5-6,8,11H2,1-4H3,(H2,18,21)/t12-/m1/s1
InChIKeyWUWYWJOUKRRPIB-GFCCVEGCSA-N
XLogP2.40
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate (CID 155168145) is [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate is CC(C)(C[C@H]1CCN(c2cncc(C(C)(C)O)c2)C1)OC(N)=O.
What is the InChIKey of [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is WUWYWJOUKRRPIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-16(2,23-15(18)21)8-12-5-6-20(11-12)14-7-13(9-19-10-14)17(3,4)22/h7,9-10,12,22H,5-6,8,11H2,1-4H3,(H2,18,21)/t12-/m1/s1.
What are the key properties of [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate?
[1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 155168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).