N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide

C33H60N4O8 — CID 160810837

IUPACN-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide
SMILESCC(C)C(=O)NC1[C@H]2COC[C@@H]12.CC(C)C(=O)N[C@H]1CCC[C@H]1O.CC(C)C(=O)N[C@H]1CC[C@@H]1O.CC(C)C(=O)N[C@H]1C[C@@H]1O
InChIInChI=1S/C9H15NO2.C9H17NO2.C8H15NO2.C7H13NO2/c1-5(2)9(11)10-8-6-3-12-4-7(6)8;1-6(2)9(12)10-7-4-3-5-8(7)11;1-5(2)8(11)9-6-3-4-7(6)10;1-4(2)7(10)8-5-3-6(5)9/h5-8H,3-4H2,1-2H3,(H,10,11);6-8,11H,3-5H2,1-2H3,(H,10,12);5-7,10H,3-4H2,1-2H3,(H,9,11);4-6,9H,3H2,1-2H3,(H,8,10)/t6-,7+,8?;7-,8+;6-,7-;5-,6-/m.000/s1
InChIKeySEHINEHMGYILOB-IYXWXVAXSA-N
MW640.86 g/mol
LogP1.25
Rot. Bonds8

About N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide

N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide (PubChem CID 160810837) has the molecular formula C33H60N4O8 and a molecular weight of 640.86 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide
PubChem CID160810837
Molecular FormulaC33H60N4O8
Molecular Weight640.86 g/mol
Exact Mass640.44
IUPAC NameN-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide
SMILESCC(C)C(=O)NC1[C@H]2COC[C@@H]12.CC(C)C(=O)N[C@H]1CCC[C@H]1O.CC(C)C(=O)N[C@H]1CC[C@@H]1O.CC(C)C(=O)N[C@H]1C[C@@H]1O
InChIInChI=1S/C9H15NO2.C9H17NO2.C8H15NO2.C7H13NO2/c1-5(2)9(11)10-8-6-3-12-4-7(6)8;1-6(2)9(12)10-7-4-3-5-8(7)11;1-5(2)8(11)9-6-3-4-7(6)10;1-4(2)7(10)8-5-3-6(5)9/h5-8H,3-4H2,1-2H3,(H,10,11);6-8,11H,3-5H2,1-2H3,(H,10,12);5-7,10H,3-4H2,1-2H3,(H,9,11);4-6,9H,3H2,1-2H3,(H,8,10)/t6-,7+,8?;7-,8+;6-,7-;5-,6-/m.000/s1
InChIKeySEHINEHMGYILOB-IYXWXVAXSA-N
XLogP1.25
TPSA186.32 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.86
LogP ≤ 51.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide (CID 160810837) is N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide is CC(C)C(=O)NC1[C@H]2COC[C@@H]12.CC(C)C(=O)N[C@H]1CCC[C@H]1O.CC(C)C(=O)N[C@H]1CC[C@@H]1O.CC(C)C(=O)N[C@H]1C[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide?
The InChIKey is SEHINEHMGYILOB-IYXWXVAXSA-N. The full InChI is InChI=1S/C9H15NO2.C9H17NO2.C8H15NO2.C7H13NO2/c1-5(2)9(11)10-8-6-3-12-4-7(6)8;1-6(2)9(12)10-7-4-3-5-8(7)11;1-5(2)8(11)9-6-3-4-7(6)10;1-4(2)7(10)8-5-3-6(5)9/h5-8H,3-4H2,1-2H3,(H,10,11);6-8,11H,3-5H2,1-2H3,(H,10,12);5-7,10H,3-4H2,1-2H3,(H,9,11);4-6,9H,3H2,1-2H3,(H,8,10)/t6-,7+,8?;7-,8+;6-,7-;5-,6-/m.000/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide?
N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide has a molecular weight of 640.86 g/mol, XLogP of 1.25, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclobutyl]-2-methylpropanamide;N-[(1S,2R)-2-hydroxycyclopentyl]-2-methylpropanamide;N-[(1S,2S)-2-hydroxycyclopropyl]-2-methylpropanamide;2-methyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]propanamide is sourced from PubChem (CID 160810837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).