(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate

C10H21N3O7 — CID 87194814

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
SMILESC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C7H14N2O4.C3H7NO3/c1-3(8)6(11)13-7(12)5(9)4(2)10;4-2(1-5)3(6)7/h3-5,10H,8-9H2,1-2H3;2,5H,1,4H2,(H,6,7)/t3-,4+,5-;2-/m00/s1
InChIKeyFPUIMOXCCRDDIL-PSVOPEBOSA-N
MW295.29 g/mol
LogP-3.50
Rot. Bonds5

About (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate

(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate (PubChem CID 87194814) has the molecular formula C10H21N3O7 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
PubChem CID87194814
Molecular FormulaC10H21N3O7
Molecular Weight295.29 g/mol
Exact Mass295.14
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
SMILESC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)O.N[C@@H](CO)C(=O)O
InChIInChI=1S/C7H14N2O4.C3H7NO3/c1-3(8)6(11)13-7(12)5(9)4(2)10;4-2(1-5)3(6)7/h3-5,10H,8-9H2,1-2H3;2,5H,1,4H2,(H,6,7)/t3-,4+,5-;2-/m00/s1
InChIKeyFPUIMOXCCRDDIL-PSVOPEBOSA-N
XLogP-3.50
TPSA199.19 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.29
LogP ≤ 5-3.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
CID 87194816
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
[(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
CID 57045399
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;2-aminopropanoyl 2-aminopropanoate
CID 161333292
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
(2S)-2-aminobutanedioic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);(2S)-2-aminopropanoic acid
CID 173370164
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
(2S,3R)-2-amino-3-hydroxybutanoic acid;[(2S,3R)-2-amino-3-hydroxybutanoyl] (2S)-2,4-diamino-4-oxobutanoate;(2S)-2-amino-3-methylbutanoic acid
CID 87528441
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate (CID 87194814) is (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate is C[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)O.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
The InChIKey is FPUIMOXCCRDDIL-PSVOPEBOSA-N. The full InChI is InChI=1S/C7H14N2O4.C3H7NO3/c1-3(8)6(11)13-7(12)5(9)4(2)10;4-2(1-5)3(6)7/h3-5,10H,8-9H2,1-2H3;2,5H,1,4H2,(H,6,7)/t3-,4+,5-;2-/m00/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate has a molecular weight of 295.29 g/mol, XLogP of -3.50, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate is sourced from PubChem (CID 87194814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).