(2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide

C11H18N2O3 — CID 173130008

IUPAC(2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)C1CCOCC1
InChIInChI=1S/C11H18N2O3/c12-11(15)13-5-1-2-9(13)10(14)8-3-6-16-7-4-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1
InChIKeyMUMRNJDGQRGSCY-VIFPVBQESA-N
MW226.28 g/mol
LogP0.53
Rot. Bonds2

About (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide

(2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 173130008) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide
PubChem CID173130008
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H]1C(=O)C1CCOCC1
InChIInChI=1S/C11H18N2O3/c12-11(15)13-5-1-2-9(13)10(14)8-3-6-16-7-4-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1
InChIKeyMUMRNJDGQRGSCY-VIFPVBQESA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
cyclobutyl(oxan-4-yl)methanone
CID 64982352
oxane-4-carboxamide
CID 13197203
2-cyclopropylpiperidine-1-carboxamide
CID 140765289
2-(oxan-4-ylmethyl)azetidine-1-carboxamide
CID 154461255
2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 146082137
[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 63765952
(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone
CID 103595318
N'-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethoxy]oxane-4-carboximidamide
CID 110209459
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide
CID 136580497
N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110873077

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide (CID 173130008) is (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide is NC(=O)N1CCC[C@H]1C(=O)C1CCOCC1.
What is the InChIKey of (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is MUMRNJDGQRGSCY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3/c12-11(15)13-5-1-2-9(13)10(14)8-3-6-16-7-4-8/h8-9H,1-7H2,(H2,12,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide?
(2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxane-4-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 173130008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).