(Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid

C11H21N3O2 — CID 147848709

IUPAC(Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid
SMILESC/C(=C/CC[C@@](C)(N)C(=O)O)C/N=C(\C)N
InChIInChI=1S/C11H21N3O2/c1-8(7-14-9(2)12)5-4-6-11(3,13)10(15)16/h5H,4,6-7,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-5-/t11-/m1/s1
InChIKeyHUJZJAMXPMQVDB-UIJKISKDSA-N
MW227.31 g/mol
LogP0.89
Rot. Bonds6

About (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid

(Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid (PubChem CID 147848709) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid.

Molecular Properties

Compound Name(Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid
PubChem CID147848709
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid
SMILESC/C(=C/CC[C@@](C)(N)C(=O)O)C/N=C(\C)N
InChIInChI=1S/C11H21N3O2/c1-8(7-14-9(2)12)5-4-6-11(3,13)10(15)16/h5H,4,6-7,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-5-/t11-/m1/s1
InChIKeyHUJZJAMXPMQVDB-UIJKISKDSA-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,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid?
The IUPAC name of (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid (CID 147848709) is (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid.
What is the SMILES notation for (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid?
The canonical SMILES for (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid is C/C(=C/CC[C@@](C)(N)C(=O)O)C/N=C(\C)N.
What is the InChIKey of (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid?
The InChIKey is HUJZJAMXPMQVDB-UIJKISKDSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(7-14-9(2)12)5-4-6-11(3,13)10(15)16/h5H,4,6-7,13H2,1-3H3,(H2,12,14)(H,15,16)/b8-5-/t11-/m1/s1.
What are the key properties of (Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid?
(Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-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,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid is sourced from PubChem (CID 147848709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).