(2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid

C10H19N3O2 — CID 57034448

IUPAC(2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid
SMILESC=CC/C(N)=N\CC[C@@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C10H19N3O2/c1-3-4-8(11)13-6-5-7(2)9(12)10(14)15/h3,7,9H,1,4-6,12H2,2H3,(H2,11,13)(H,14,15)/t7-,9+/m1/s1
InChIKeyUYIKRXFVYFTVRT-APPZFPTMSA-N
MW213.28 g/mol
LogP0.36
Rot. Bonds7

About (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid

(2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid (PubChem CID 57034448) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid
PubChem CID57034448
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid
SMILESC=CC/C(N)=N\CC[C@@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C10H19N3O2/c1-3-4-8(11)13-6-5-7(2)9(12)10(14)15/h3,7,9H,1,4-6,12H2,2H3,(H2,11,13)(H,14,15)/t7-,9+/m1/s1
InChIKeyUYIKRXFVYFTVRT-APPZFPTMSA-N
XLogP0.36
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
The IUPAC name of (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid (CID 57034448) is (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
The canonical SMILES for (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid is C=CC/C(N)=N\CC[C@@H](C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
The InChIKey is UYIKRXFVYFTVRT-APPZFPTMSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-4-8(11)13-6-5-7(2)9(12)10(14)15/h3,7,9H,1,4-6,12H2,2H3,(H2,11,13)(H,14,15)/t7-,9+/m1/s1.
What are the key properties of (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid?
(2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid is sourced from PubChem (CID 57034448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).