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

C10H13NO6 — CID 157145146

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
SMILESN[C@@H](CO)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C3H7NO3/c8-6-4-2-1-3-5(6)7(9)10;4-2(1-5)3(6)7/h1-4,8H,(H,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyAKPRRYGYKIDVJO-WNQIDUERSA-N
MW243.22 g/mol
LogP-0.52
Rot. Bonds3

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

(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid (PubChem CID 157145146) has the molecular formula C10H13NO6 and a molecular weight of 243.22 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
PubChem CID157145146
Molecular FormulaC10H13NO6
Molecular Weight243.22 g/mol
Exact Mass243.07
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
SMILESN[C@@H](CO)C(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C3H7NO3/c8-6-4-2-1-3-5(6)7(9)10;4-2(1-5)3(6)7/h1-4,8H,(H,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyAKPRRYGYKIDVJO-WNQIDUERSA-N
XLogP-0.52
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 70187376
(2S)-2-amino-4-sulfanylbutanoic acid;2-hydroxybenzoic acid
CID 158324886
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
(2S)-2-amino-4-methylsulfanylbutanoic acid;2-hydroxybenzoic acid
CID 158995174
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid (CID 157145146) is (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid is N[C@@H](CO)C(=O)O.O=C(O)c1ccccc1O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid?
The InChIKey is AKPRRYGYKIDVJO-WNQIDUERSA-N. The full InChI is InChI=1S/C7H6O3.C3H7NO3/c8-6-4-2-1-3-5(6)7(9)10;4-2(1-5)3(6)7/h1-4,8H,(H,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid?
(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid has a molecular weight of 243.22 g/mol, XLogP of -0.52, 3 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;2-hydroxybenzoic acid is sourced from PubChem (CID 157145146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).