(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide

C12H24N2O3 — CID 164604432

IUPAC(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O3/c1-8(11(13)12(16)14-2)17-7-9-3-5-10(15)6-4-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t8-,9?,10?,11+/m1/s1
InChIKeyIRJQELPTGUTQNQ-SFXRXQKFSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds5

About (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide

(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide (PubChem CID 164604432) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide
PubChem CID164604432
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O3/c1-8(11(13)12(16)14-2)17-7-9-3-5-10(15)6-4-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t8-,9?,10?,11+/m1/s1
InChIKeyIRJQELPTGUTQNQ-SFXRXQKFSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604083
(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604443
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604619
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride
CID 164604624
(2S,3R)-2-amino-3-[[(3R,5S)-3,5-dimethylcyclohexyl]methoxy]-N-methylbutanamide
CID 164604860
(2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
CID 164604903
3-[(4-hydroxycyclohexyl)methoxy]-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 164604964
(2S,3R)-2-amino-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164605023
2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164605024
(2R,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 166553823
(3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 170757797
2-acetamido-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide;ethane
CID 170758765

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide?
The IUPAC name of (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide (CID 164604432) is (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(O)CC1.
What is the InChIKey of (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide?
The InChIKey is IRJQELPTGUTQNQ-SFXRXQKFSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(11(13)12(16)14-2)17-7-9-3-5-10(15)6-4-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t8-,9?,10?,11+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide?
(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide is sourced from PubChem (CID 164604432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).