1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide

C15H26N2O4 — CID 103848737

IUPAC1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C15H26N2O4/c1-14(2,3)13(19)17-7-4-5-11(17)12(18)16-9-15(20)6-8-21-10-15/h11,20H,4-10H2,1-3H3,(H,16,18)
InChIKeyXLJABEVXACNPAW-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.29
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 103848737) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID103848737
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C15H26N2O4/c1-14(2,3)13(19)17-7-4-5-11(17)12(18)16-9-15(20)6-8-21-10-15/h11,20H,4-10H2,1-3H3,(H,16,18)
InChIKeyXLJABEVXACNPAW-UHFFFAOYSA-N
XLogP0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-hydroxy-N-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54874255
4-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 61276365
4-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 61583441
1-(2,2-dimethylpropanoyl)-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 64286270
4-hydroxy-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 64314784
N-(2,3-dihydroxy-2-methylpropyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 66171511
N-(2,3-dihydroxy-2-methylpropyl)-4-methoxypyrrolidine-2-carboxamide
CID 66186958
N-(2,3-dihydroxy-2-methylpropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 66187199
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102780031
(3-Hydroxy-3-methylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 103355814
(3-Hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 103355900
(3,4-Dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 103533223

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide (CID 103848737) is 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)NCC1(O)CCOC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is XLJABEVXACNPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,3)13(19)17-7-4-5-11(17)12(18)16-9-15(20)6-8-21-10-15/h11,20H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(3-hydroxyoxolan-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103848737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).