methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate

C14H25N3O3 — CID 106981194

IUPACmethyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C14H25N3O3/c1-10(2)14(5-6-15-9-14)12(18)17-7-4-11(8-17)16-13(19)20-3/h10-11,15H,4-9H2,1-3H3,(H,16,19)
InChIKeyFDNJQFWOKIUQNO-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.58
Rot. Bonds3

About methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 106981194) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID106981194
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)C2(C(C)C)CCNC2)C1
InChIInChI=1S/C14H25N3O3/c1-10(2)14(5-6-15-9-14)12(18)17-7-4-11(8-17)16-13(19)20-3/h10-11,15H,4-9H2,1-3H3,(H,16,19)
InChIKeyFDNJQFWOKIUQNO-UHFFFAOYSA-N
XLogP0.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
(3,4-dimethoxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981410
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
(4-methylsulfanylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 114237027
(3R)-1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 106981005
(3-morpholin-4-ylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980656
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981004
(3-propan-2-ylpyrrolidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 106980335
methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate
CID 113402275
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate (CID 106981194) is methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(=O)C2(C(C)C)CCNC2)C1.
What is the InChIKey of methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is FDNJQFWOKIUQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(2)14(5-6-15-9-14)12(18)17-7-4-11(8-17)16-13(19)20-3/h10-11,15H,4-9H2,1-3H3,(H,16,19).
What are the key properties of methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 106981194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).