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

C10H19N3O2 — CID 57055672

IUPAC(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid
SMILESC=CC/C(N)=N\CCC[C@](C)(N)C(=O)O
InChIInChI=1S/C10H19N3O2/c1-3-5-8(11)13-7-4-6-10(2,12)9(14)15/h3H,1,4-7,12H2,2H3,(H2,11,13)(H,14,15)/t10-/m0/s1
InChIKeyRRPLEHNNLSEJGW-JTQLQIEISA-N
MW213.28 g/mol
LogP0.50
Rot. Bonds7

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

(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid (PubChem CID 57055672) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid
PubChem CID57055672
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid
SMILESC=CC/C(N)=N\CCC[C@](C)(N)C(=O)O
InChIInChI=1S/C10H19N3O2/c1-3-5-8(11)13-7-4-6-10(2,12)9(14)15/h3H,1,4-7,12H2,2H3,(H2,11,13)(H,14,15)/t10-/m0/s1
InChIKeyRRPLEHNNLSEJGW-JTQLQIEISA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid?
The IUPAC name of (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid (CID 57055672) is (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid is C=CC/C(N)=N\CCC[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid?
The InChIKey is RRPLEHNNLSEJGW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-5-8(11)13-7-4-6-10(2,12)9(14)15/h3H,1,4-7,12H2,2H3,(H2,11,13)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid?
(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1-aminobut-3-enylideneamino)-2-methylpentanoic acid is sourced from PubChem (CID 57055672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).