(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane

C8H18N2O2 — CID 159405333

IUPAC(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane
SMILESC.C[C@@](N)(C/C=C/CN)C(=O)O
InChIInChI=1S/C7H14N2O2.CH4/c1-7(9,6(10)11)4-2-3-5-8;/h2-3H,4-5,8-9H2,1H3,(H,10,11);1H4/b3-2+;/t7-;/m1./s1
InChIKeyLNWPMTQLRBWBFK-KBHSIZCPSA-N
MW174.24 g/mol
LogP0.33
Rot. Bonds4

About (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane

(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane (PubChem CID 159405333) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane.

Molecular Properties

Compound Name(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane
PubChem CID159405333
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane
SMILESC.C[C@@](N)(C/C=C/CN)C(=O)O
InChIInChI=1S/C7H14N2O2.CH4/c1-7(9,6(10)11)4-2-3-5-8;/h2-3H,4-5,8-9H2,1H3,(H,10,11);1H4/b3-2+;/t7-;/m1./s1
InChIKeyLNWPMTQLRBWBFK-KBHSIZCPSA-N
XLogP0.33
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.33
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

(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane
CID 157301795
(2R)-2-amino-2-methyldec-4-enoic acid
CID 87131405
(Z)-2-amino-7-(1-aminoethylamino)-2-methylhept-4-enoic acid
CID 143018071
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2,6-diamino-2-methylhexanoic acid
CID 3017540
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
(E,2R)-2-amino-2-methyldec-6-enoic acid
CID 102601562
2,8-diamino-2-methyloctanoic acid
CID 87814639
(E)-2-bromo-2-methylhept-4-enoic acid
CID 87533171

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane?
The IUPAC name of (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane (CID 159405333) is (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane.
What is the SMILES notation for (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane?
The canonical SMILES for (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane is C.C[C@@](N)(C/C=C/CN)C(=O)O.
What is the InChIKey of (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane?
The InChIKey is LNWPMTQLRBWBFK-KBHSIZCPSA-N. The full InChI is InChI=1S/C7H14N2O2.CH4/c1-7(9,6(10)11)4-2-3-5-8;/h2-3H,4-5,8-9H2,1H3,(H,10,11);1H4/b3-2+;/t7-;/m1./s1.
What are the key properties of (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane?
(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane has a molecular weight of 174.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane is sourced from PubChem (CID 159405333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).