(E)-2,6-diamino-2-methylhex-3-enoic acid

C7H14N2O2 — CID 22630107

IUPAC(E)-2,6-diamino-2-methylhex-3-enoic acid
SMILESCC(N)(/C=C/CCN)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2,4H,3,5,8-9H2,1H3,(H,10,11)/b4-2+
InChIKeyPHVMBKMRADTNKL-DUXPYHPUSA-N
MW158.20 g/mol
LogP-0.31
Rot. Bonds4

About (E)-2,6-diamino-2-methylhex-3-enoic acid

(E)-2,6-diamino-2-methylhex-3-enoic acid (PubChem CID 22630107) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-2,6-diamino-2-methylhex-3-enoic acid.

Molecular Properties

Compound Name(E)-2,6-diamino-2-methylhex-3-enoic acid
PubChem CID22630107
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(E)-2,6-diamino-2-methylhex-3-enoic acid
SMILESCC(N)(/C=C/CCN)C(=O)O
InChIInChI=1S/C7H14N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2,4H,3,5,8-9H2,1H3,(H,10,11)/b4-2+
InChIKeyPHVMBKMRADTNKL-DUXPYHPUSA-N
XLogP-0.31
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino-2-methylhex-3-enoic acid;dihydrochloride
CID 85044432
(E)-2-amino-2-methylhept-3-enoic acid
CID 87097454
2-amino-2-methylpent-3-enoic acid
CID 85212787
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
2-amino-2-pent-1-enylhept-3-enoic acid
CID 155213302
2,6-diamino-2-methylhexanoic acid
CID 3017540
(E)-6-aminohex-3-enoic acid
CID 19017972
(E,2R)-2-amino-2-methyldec-6-enoic acid
CID 102601562
2,8-diamino-2-methyloctanoic acid
CID 87814639
2-amino-2-methyldec-9-enoic acid
CID 76833646
(E)-2,2-dimethyloct-3-enoic acid
CID 18786053
(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane
CID 159405333

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-diamino-2-methylhex-3-enoic acid?
The IUPAC name of (E)-2,6-diamino-2-methylhex-3-enoic acid (CID 22630107) is (E)-2,6-diamino-2-methylhex-3-enoic acid.
What is the SMILES notation for (E)-2,6-diamino-2-methylhex-3-enoic acid?
The canonical SMILES for (E)-2,6-diamino-2-methylhex-3-enoic acid is CC(N)(/C=C/CCN)C(=O)O.
What is the InChIKey of (E)-2,6-diamino-2-methylhex-3-enoic acid?
The InChIKey is PHVMBKMRADTNKL-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(9,6(10)11)4-2-3-5-8/h2,4H,3,5,8-9H2,1H3,(H,10,11)/b4-2+.
What are the key properties of (E)-2,6-diamino-2-methylhex-3-enoic acid?
(E)-2,6-diamino-2-methylhex-3-enoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-diamino-2-methylhex-3-enoic acid is sourced from PubChem (CID 22630107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).