2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide

C10H17NO2 — CID 131020268

IUPAC2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CC2CCC1O2
InChIInChI=1S/C10H17NO2/c1-6(2)10(12)11-8-5-7-3-4-9(8)13-7/h6-9H,3-5H2,1-2H3,(H,11,12)/t7?,8-,9?/m0/s1
InChIKeyAJNVKCDCBMZMRP-MGURRDGZSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds2

About 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide

2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide (PubChem CID 131020268) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
PubChem CID131020268
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
SMILESCC(C)C(=O)N[C@H]1CC2CCC1O2
InChIInChI=1S/C10H17NO2/c1-6(2)10(12)11-8-5-7-3-4-9(8)13-7/h6-9H,3-5H2,1-2H3,(H,11,12)/t7?,8-,9?/m0/s1
InChIKeyAJNVKCDCBMZMRP-MGURRDGZSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
(2S)-2-amino-3,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721257
2-carbamothioyl-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80719880
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
CID 120992551
2-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide
CID 80720993
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
CID 120562894
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
CID 80714519
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
CID 80602124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide (CID 131020268) is 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide is CC(C)C(=O)N[C@H]1CC2CCC1O2.
What is the InChIKey of 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
The InChIKey is AJNVKCDCBMZMRP-MGURRDGZSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)10(12)11-8-5-7-3-4-9(8)13-7/h6-9H,3-5H2,1-2H3,(H,11,12)/t7?,8-,9?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide?
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide has a molecular weight of 183.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide is sourced from PubChem (CID 131020268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).