2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid

C10H22N2O5 — CID 22316344

IUPAC2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
SMILESCC(O)C(N)C(=O)O.CCC(C)C(N)C(=O)O
InChIInChI=1S/C6H13NO2.C4H9NO3/c1-3-4(2)5(7)6(8)9;1-2(6)3(5)4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);2-3,6H,5H2,1H3,(H,7,8)
InChIKeyGTHSCFHWXDWOPL-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.78
Rot. Bonds5

About 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid

2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid (PubChem CID 22316344) has the molecular formula C10H22N2O5 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
PubChem CID22316344
Molecular FormulaC10H22N2O5
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
SMILESCC(O)C(N)C(=O)O.CCC(C)C(N)C(=O)O
InChIInChI=1S/C6H13NO2.C4H9NO3/c1-3-4(2)5(7)6(8)9;1-2(6)3(5)4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);2-3,6H,5H2,1H3,(H,7,8)
InChIKeyGTHSCFHWXDWOPL-UHFFFAOYSA-N
XLogP-0.78
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
2-amino-3-methylpentanoic acid;sulfuric acid
CID 87083473
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid (CID 22316344) is 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid is CC(O)C(N)C(=O)O.CCC(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid?
The InChIKey is GTHSCFHWXDWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C4H9NO3/c1-3-4(2)5(7)6(8)9;1-2(6)3(5)4(7)8/h4-5H,3,7H2,1-2H3,(H,8,9);2-3,6H,5H2,1H3,(H,7,8).
What are the key properties of 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid?
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid has a molecular weight of 250.29 g/mol, XLogP of -0.78, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid is sourced from PubChem (CID 22316344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).