(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid

C8H17NO4 — CID 14589444

IUPAC(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid
SMILESCN[C@H](C(=O)O)[C@H](O)[C@H](C)COC
InChIInChI=1S/C8H17NO4/c1-5(4-13-3)7(10)6(9-2)8(11)12/h5-7,9-10H,4H2,1-3H3,(H,11,12)/t5-,6+,7-/m1/s1
InChIKeyWOAXFOSJUGZNDK-DSYKOEDSSA-N
MW191.23 g/mol
LogP-0.70
Rot. Bonds6

About (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid

(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid (PubChem CID 14589444) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid
PubChem CID14589444
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid
SMILESCN[C@H](C(=O)O)[C@H](O)[C@H](C)COC
InChIInChI=1S/C8H17NO4/c1-5(4-13-3)7(10)6(9-2)8(11)12/h5-7,9-10H,4H2,1-3H3,(H,11,12)/t5-,6+,7-/m1/s1
InChIKeyWOAXFOSJUGZNDK-DSYKOEDSSA-N
XLogP-0.70
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
(2S,3R)-2-hydroxy-3-(methylamino)butanedioic acid
CID 170652608
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2S,3R)-3-hydroxy-2-(3-methoxypropylcarbamoylamino)butanoic acid
CID 104965839
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014
(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-pyridin-4-ylhexanoic acid
CID 122585936
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid (CID 14589444) is (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid is CN[C@H](C(=O)O)[C@H](O)[C@H](C)COC.
What is the InChIKey of (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid?
The InChIKey is WOAXFOSJUGZNDK-DSYKOEDSSA-N. The full InChI is InChI=1S/C8H17NO4/c1-5(4-13-3)7(10)6(9-2)8(11)12/h5-7,9-10H,4H2,1-3H3,(H,11,12)/t5-,6+,7-/m1/s1.
What are the key properties of (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid?
(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 14589444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).