(Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid

C11H21N3O2 — CID 22314562

IUPAC(Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid
SMILESC/C(=C/C/N=C(\C)N)CCC(C)(N)C(=O)O
InChIInChI=1S/C11H21N3O2/c1-8(5-7-14-9(2)12)4-6-11(3,13)10(15)16/h5H,4,6-7,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-5-
InChIKeyIZVGAPNDFLQBES-YVMONPNESA-N
MW227.31 g/mol
LogP0.89
Rot. Bonds6

About (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid

(Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid (PubChem CID 22314562) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid
PubChem CID22314562
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid
SMILESC/C(=C/C/N=C(\C)N)CCC(C)(N)C(=O)O
InChIInChI=1S/C11H21N3O2/c1-8(5-7-14-9(2)12)4-6-11(3,13)10(15)16/h5H,4,6-7,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-5-
InChIKeyIZVGAPNDFLQBES-YVMONPNESA-N
XLogP0.89
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.89
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 (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid?
The IUPAC name of (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid (CID 22314562) is (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid.
What is the SMILES notation for (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid?
The canonical SMILES for (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid is C/C(=C/C/N=C(\C)N)CCC(C)(N)C(=O)O.
What is the InChIKey of (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid?
The InChIKey is IZVGAPNDFLQBES-YVMONPNESA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(5-7-14-9(2)12)4-6-11(3,13)10(15)16/h5H,4,6-7,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-5-.
What are the key properties of (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid?
(Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid has a molecular weight of 227.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-7-(1-aminoethylideneamino)-2,5-dimethylhept-5-enoic acid is sourced from PubChem (CID 22314562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).