(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid

C8H18N2O5 — CID 87148112

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C5H11NO2.C3H7NO3/c1-3(2)4(6)5(7)8;4-2(1-5)3(6)7/h3-4H,6H2,1-2H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t4-;2-/m00/s1
InChIKeyDDIHPADCTQJNFX-ZBRNBAAYSA-N
MW222.24 g/mol
LogP-1.56
Rot. Bonds4

About (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid (PubChem CID 87148112) has the molecular formula C8H18N2O5 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
PubChem CID87148112
Molecular FormulaC8H18N2O5
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C5H11NO2.C3H7NO3/c1-3(2)4(6)5(7)8;4-2(1-5)3(6)7/h3-4H,6H2,1-2H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t4-;2-/m00/s1
InChIKeyDDIHPADCTQJNFX-ZBRNBAAYSA-N
XLogP-1.56
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
silver 2-amino-3-methylbutanoic acid
CID 19021116
CID 157089134
CID 157089134
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
CID 87194816
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid (CID 87148112) is (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid is CC(C)[C@H](N)C(=O)O.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The InChIKey is DDIHPADCTQJNFX-ZBRNBAAYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H7NO3/c1-3(2)4(6)5(7)8;4-2(1-5)3(6)7/h3-4H,6H2,1-2H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t4-;2-/m00/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid?
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid has a molecular weight of 222.24 g/mol, XLogP of -1.56, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid is sourced from PubChem (CID 87148112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).