(E)-4-amino-2,5-dimethylhex-2-enoic acid

C8H15NO2 — CID 22922617

IUPAC(E)-4-amino-2,5-dimethylhex-2-enoic acid
SMILESC/C(=C\C(N)C(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)7(9)4-6(3)8(10)11/h4-5,7H,9H2,1-3H3,(H,10,11)/b6-4+
InChIKeySBJZXWKYPGOLEN-GQCTYLIASA-N
MW157.21 g/mol
LogP1.00
Rot. Bonds3

About (E)-4-amino-2,5-dimethylhex-2-enoic acid

(E)-4-amino-2,5-dimethylhex-2-enoic acid (PubChem CID 22922617) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-4-amino-2,5-dimethylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-4-amino-2,5-dimethylhex-2-enoic acid
PubChem CID22922617
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-4-amino-2,5-dimethylhex-2-enoic acid
SMILESC/C(=C\C(N)C(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)7(9)4-6(3)8(10)11/h4-5,7H,9H2,1-3H3,(H,10,11)/b6-4+
InChIKeySBJZXWKYPGOLEN-GQCTYLIASA-N
XLogP1.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4,4-diamino-2-methylbut-2-enoic acid
CID 122514989
5-hydroxy-2,4-dimethylhex-2-enoic acid
CID 54037890
(4S)-4-amino-2-butyl-5-methylhex-2-enoic acid;hydrochloride
CID 173220957
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
CID 86593139
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
acetic acid;ethane-1,1-diamine
CID 157325550
5-(2-chloropropanoyloxy)-2-methylpent-2-enoic acid
CID 173221396
4-(1-methoxyethoxy)-2-methylpent-2-enoic acid
CID 173009855
4-(hydroxymethyl)-2,5,5-trimethylhex-2-enoic acid
CID 87326471
(2E,4E)-2,4,6-trimethylhepta-2,4-dienoic acid
CID 118877849
6-amino-4-(aminomethyl)-2-methylhex-2-enoic acid
CID 174842658
acetic acid;1-aminoethanol
CID 87647185

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-2,5-dimethylhex-2-enoic acid?
The IUPAC name of (E)-4-amino-2,5-dimethylhex-2-enoic acid (CID 22922617) is (E)-4-amino-2,5-dimethylhex-2-enoic acid.
What is the SMILES notation for (E)-4-amino-2,5-dimethylhex-2-enoic acid?
The canonical SMILES for (E)-4-amino-2,5-dimethylhex-2-enoic acid is C/C(=C\C(N)C(C)C)C(=O)O.
What is the InChIKey of (E)-4-amino-2,5-dimethylhex-2-enoic acid?
The InChIKey is SBJZXWKYPGOLEN-GQCTYLIASA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)7(9)4-6(3)8(10)11/h4-5,7H,9H2,1-3H3,(H,10,11)/b6-4+.
What are the key properties of (E)-4-amino-2,5-dimethylhex-2-enoic acid?
(E)-4-amino-2,5-dimethylhex-2-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-2,5-dimethylhex-2-enoic acid is sourced from PubChem (CID 22922617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).