2,4-diamino-3-methoxy-4-oxobutanoic acid

C5H10N2O4 — CID 170163602

IUPAC2,4-diamino-3-methoxy-4-oxobutanoic acid
SMILESCOC(C(N)=O)C(N)C(=O)O
InChIInChI=1S/C5H10N2O4/c1-11-3(4(7)8)2(6)5(9)10/h2-3H,6H2,1H3,(H2,7,8)(H,9,10)
InChIKeyXKHJHIJHPKQWJY-UHFFFAOYSA-N
MW162.15 g/mol
LogP-2.10
Rot. Bonds4

About 2,4-diamino-3-methoxy-4-oxobutanoic acid

2,4-diamino-3-methoxy-4-oxobutanoic acid (PubChem CID 170163602) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2,4-diamino-3-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name2,4-diamino-3-methoxy-4-oxobutanoic acid
PubChem CID170163602
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name2,4-diamino-3-methoxy-4-oxobutanoic acid
SMILESCOC(C(N)=O)C(N)C(=O)O
InChIInChI=1S/C5H10N2O4/c1-11-3(4(7)8)2(6)5(9)10/h2-3H,6H2,1H3,(H2,7,8)(H,9,10)
InChIKeyXKHJHIJHPKQWJY-UHFFFAOYSA-N
XLogP-2.10
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-hydroxy-3-methoxybutanediamide
CID 131227841
3-amino-2-methoxy-3-oxopropanoic acid
CID 19373134
2-amino-3,3-dimethoxypropanamide
CID 143903860
(2R,3R)-2-amino-3-methoxy-4-methylpentanoic acid
CID 131230204
2-amino-2-methoxyacetic acid
CID 23501104
2-amino-3-hydroxy-4-methoxypentanoic acid
CID 131223230
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
CID 54362580
(2S)-2-amino-3-methoxycarbonyl-4,4-dimethylpentanoic acid;hydrochloride
CID 174430219
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;methyl acetate
CID 174767178

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-3-methoxy-4-oxobutanoic acid?
The IUPAC name of 2,4-diamino-3-methoxy-4-oxobutanoic acid (CID 170163602) is 2,4-diamino-3-methoxy-4-oxobutanoic acid.
What is the SMILES notation for 2,4-diamino-3-methoxy-4-oxobutanoic acid?
The canonical SMILES for 2,4-diamino-3-methoxy-4-oxobutanoic acid is COC(C(N)=O)C(N)C(=O)O.
What is the InChIKey of 2,4-diamino-3-methoxy-4-oxobutanoic acid?
The InChIKey is XKHJHIJHPKQWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-11-3(4(7)8)2(6)5(9)10/h2-3H,6H2,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2,4-diamino-3-methoxy-4-oxobutanoic acid?
2,4-diamino-3-methoxy-4-oxobutanoic acid has a molecular weight of 162.15 g/mol, XLogP of -2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-3-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 170163602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).