(2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide

C10H17NO3 — CID 162133832

IUPAC(2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide
SMILESCCC(=O)C[C@@H]1CC[C@@H](C(N)=O)OC1
InChIInChI=1S/C10H17NO3/c1-2-8(12)5-7-3-4-9(10(11)13)14-6-7/h7,9H,2-6H2,1H3,(H2,11,13)/t7-,9-/m0/s1
InChIKeyJEZRXRCRUUUOSV-CBAPKCEASA-N
MW199.25 g/mol
LogP0.64
Rot. Bonds4

About (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide

(2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide (PubChem CID 162133832) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide
PubChem CID162133832
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide
SMILESCCC(=O)C[C@@H]1CC[C@@H](C(N)=O)OC1
InChIInChI=1S/C10H17NO3/c1-2-8(12)5-7-3-4-9(10(11)13)14-6-7/h7,9H,2-6H2,1H3,(H2,11,13)/t7-,9-/m0/s1
InChIKeyJEZRXRCRUUUOSV-CBAPKCEASA-N
XLogP0.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-yl)butan-2-one
CID 103847209
ethane;1-(4-ethylcyclohexyl)butan-2-one
CID 154679041
(2R,5R)-5-methoxyoxane-2-carboxamide
CID 173141169
1-[4-(ethylamino)cyclohexyl]butan-2-one
CID 89002199
N,N-dimethyl-5-propyloxane-2-carboxamide
CID 146200732
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
cyclopropanecarboxamide;propanamide
CID 174752815
(4S)-4-hydroxyoxolane-2-carboxamide
CID 91612215
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
CID 167938136
1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)butan-2-one
CID 157030649

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide?
The IUPAC name of (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide (CID 162133832) is (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide?
The canonical SMILES for (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide is CCC(=O)C[C@@H]1CC[C@@H](C(N)=O)OC1.
What is the InChIKey of (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide?
The InChIKey is JEZRXRCRUUUOSV-CBAPKCEASA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-8(12)5-7-3-4-9(10(11)13)14-6-7/h7,9H,2-6H2,1H3,(H2,11,13)/t7-,9-/m0/s1.
What are the key properties of (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide?
(2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide is sourced from PubChem (CID 162133832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).