(E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride

C7H14ClNO2 — CID 146049507

IUPAC(E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride
SMILESC/C(=C\C(C)CN)C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5(4-8)3-6(2)7(9)10;/h3,5H,4,8H2,1-2H3,(H,9,10);1H/b6-3+;
InChIKeyHSOKECZEJMEPFQ-ZIKNSQGESA-N
MW179.65 g/mol
LogP1.03
Rot. Bonds3

About (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride

(E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride (PubChem CID 146049507) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name(E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride
PubChem CID146049507
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride
SMILESC/C(=C\C(C)CN)C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5(4-8)3-6(2)7(9)10;/h3,5H,4,8H2,1-2H3,(H,9,10);1H/b6-3+;
InChIKeyHSOKECZEJMEPFQ-ZIKNSQGESA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.03
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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Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride?
The IUPAC name of (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride (CID 146049507) is (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride.
What is the SMILES notation for (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride?
The canonical SMILES for (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride is C/C(=C\C(C)CN)C(=O)O.Cl.
What is the InChIKey of (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride?
The InChIKey is HSOKECZEJMEPFQ-ZIKNSQGESA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-5(4-8)3-6(2)7(9)10;/h3,5H,4,8H2,1-2H3,(H,9,10);1H/b6-3+;.
What are the key properties of (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride?
(E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-2,4-dimethylpent-2-enoic acid;hydrochloride is sourced from PubChem (CID 146049507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).