(2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid

C10H21N3O2 — CID 91937851

IUPAC(2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid
SMILESCC(C)C/C(N)=N\CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H21N3O2/c1-7(2)6-9(12)13-5-3-4-8(11)10(14)15/h7-8H,3-6,11H2,1-2H3,(H2,12,13)(H,14,15)/t8-/m0/s1
InChIKeyQQKIEAGFWPWSRQ-QMMMGPOBSA-N
MW215.30 g/mol
LogP0.58
Rot. Bonds7

About (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid

(2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid (PubChem CID 91937851) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid
PubChem CID91937851
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid
SMILESCC(C)C/C(N)=N\CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H21N3O2/c1-7(2)6-9(12)13-5-3-4-8(11)10(14)15/h7-8H,3-6,11H2,1-2H3,(H2,12,13)(H,14,15)/t8-/m0/s1
InChIKeyQQKIEAGFWPWSRQ-QMMMGPOBSA-N
XLogP0.58
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.58
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid (CID 91937851) is (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid is CC(C)C/C(N)=N\CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid?
The InChIKey is QQKIEAGFWPWSRQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)6-9(12)13-5-3-4-8(11)10(14)15/h7-8H,3-6,11H2,1-2H3,(H2,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid?
(2S)-2-amino-5-[(1-amino-3-methylbutylidene)amino]pentanoic acid has a molecular weight of 215.30 g/mol, XLogP of 0.58, 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-amino-3-methylbutylidene)amino]pentanoic acid is sourced from PubChem (CID 91937851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).