[(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate

C10H19N3O6 — CID 57045399

IUPAC[(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
SMILESC[C@H](N)C(=O)OC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H19N3O6/c1-4(11)8(15)18-3-6(12)9(16)19-10(17)7(13)5(2)14/h4-7,14H,3,11-13H2,1-2H3/t4-,5+,6-,7-/m0/s1
InChIKeyVTLNGURIRRJKCP-VZFHVOOUSA-N
MW277.28 g/mol
LogP-3.02
Rot. Bonds6

About [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate

[(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate (PubChem CID 57045399) has the molecular formula C10H19N3O6 and a molecular weight of 277.28 g/mol. Its IUPAC name is [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Name[(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
PubChem CID57045399
Molecular FormulaC10H19N3O6
Molecular Weight277.28 g/mol
Exact Mass277.13
IUPAC Name[(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
SMILESC[C@H](N)C(=O)OC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H19N3O6/c1-4(11)8(15)18-3-6(12)9(16)19-10(17)7(13)5(2)14/h4-7,14H,3,11-13H2,1-2H3/t4-,5+,6-,7-/m0/s1
InChIKeyVTLNGURIRRJKCP-VZFHVOOUSA-N
XLogP-3.02
TPSA167.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-3.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
The IUPAC name of [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate (CID 57045399) is [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate.
What is the SMILES notation for [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
The canonical SMILES for [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate is C[C@H](N)C(=O)OC[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)O.
What is the InChIKey of [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
The InChIKey is VTLNGURIRRJKCP-VZFHVOOUSA-N. The full InChI is InChI=1S/C10H19N3O6/c1-4(11)8(15)18-3-6(12)9(16)19-10(17)7(13)5(2)14/h4-7,14H,3,11-13H2,1-2H3/t4-,5+,6-,7-/m0/s1.
What are the key properties of [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate?
[(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate has a molecular weight of 277.28 g/mol, XLogP of -3.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-[(2S)-2-aminopropanoyl]oxypropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate is sourced from PubChem (CID 57045399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).