[(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate

C10H19N3O4 — CID 57067480

IUPAC[(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)CC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-5(2)8(13)10(16)17-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11,13H2,1-2H3,(H2,12,14)/t5-,6-,8-/m0/s1
InChIKeyIWYMBENONFPDLO-HAFWLYHUSA-N
MW245.28 g/mol
LogP-1.37
Rot. Bonds6

About [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate

[(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 57067480) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name[(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate
PubChem CID57067480
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name[(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)CC(N)=O
InChIInChI=1S/C10H19N3O4/c1-3-5(2)8(13)10(16)17-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11,13H2,1-2H3,(H2,12,14)/t5-,6-,8-/m0/s1
InChIKeyIWYMBENONFPDLO-HAFWLYHUSA-N
XLogP-1.37
TPSA138.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate (CID 57067480) is [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)CC(N)=O.
What is the InChIKey of [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is IWYMBENONFPDLO-HAFWLYHUSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-5(2)8(13)10(16)17-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11,13H2,1-2H3,(H2,12,14)/t5-,6-,8-/m0/s1.
What are the key properties of [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate?
[(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 245.28 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,4-diamino-4-oxobutanoyl] (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 57067480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).