1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate

C8H17NO4 — CID 107825394

IUPAC1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
SMILESCOCC(C)OC(=O)[C@@H](N)CCO
InChIInChI=1S/C8H17NO4/c1-6(5-12-2)13-8(11)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3/t6?,7-/m0/s1
InChIKeyHJNYUVKRGCSSRC-MLWJPKLSSA-N
MW191.23 g/mol
LogP-0.73
Rot. Bonds6

About 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate

1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate (PubChem CID 107825394) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
PubChem CID107825394
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
SMILESCOCC(C)OC(=O)[C@@H](N)CCO
InChIInChI=1S/C8H17NO4/c1-6(5-12-2)13-8(11)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3/t6?,7-/m0/s1
InChIKeyHJNYUVKRGCSSRC-MLWJPKLSSA-N
XLogP-0.73
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxypropan-2-yl (2S)-2-aminohexanoate
CID 107145228
butan-2-yl (2R)-2-amino-4-hydroxybutanoate
CID 107825312
[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818
2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
CID 107825334
1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927421
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
CID 107837627
1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
CID 103489110
1-methoxypropan-2-yl (Z)-2,5-diaminohex-3-enoate
CID 154468834

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate?
The IUPAC name of 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate (CID 107825394) is 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate.
What is the SMILES notation for 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate?
The canonical SMILES for 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate is COCC(C)OC(=O)[C@@H](N)CCO.
What is the InChIKey of 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate?
The InChIKey is HJNYUVKRGCSSRC-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(5-12-2)13-8(11)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate?
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate has a molecular weight of 191.23 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate is sourced from PubChem (CID 107825394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).