(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid

C5H9NO5 — CID 11008248

IUPAC(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)[C@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C5H9NO5/c1-11-5(10)3(7)2(6)4(8)9/h2-3,7H,6H2,1H3,(H,8,9)/t2-,3+/m0/s1
InChIKeyFWKTYHCQNOTZLV-STHAYSLISA-N
MW163.13 g/mol
LogP-2.07
Rot. Bonds3

About (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid

(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid (PubChem CID 11008248) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
PubChem CID11008248
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)[C@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C5H9NO5/c1-11-5(10)3(7)2(6)4(8)9/h2-3,7H,6H2,1H3,(H,8,9)/t2-,3+/m0/s1
InChIKeyFWKTYHCQNOTZLV-STHAYSLISA-N
XLogP-2.07
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
CID 91928385
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
CID 162867940
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
CID 175450123
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
2-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 66039301
(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid
CID 10582778
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
(2S)-2-amino-3-methoxycarbonyl-4,4-dimethylpentanoic acid;hydrochloride
CID 174430219
2-amino-3-methylbutanoic acid;methyl acetate
CID 174767178

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid (CID 11008248) is (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid is COC(=O)[C@H](O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid?
The InChIKey is FWKTYHCQNOTZLV-STHAYSLISA-N. The full InChI is InChI=1S/C5H9NO5/c1-11-5(10)3(7)2(6)4(8)9/h2-3,7H,6H2,1H3,(H,8,9)/t2-,3+/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid?
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid has a molecular weight of 163.13 g/mol, XLogP of -2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 11008248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).