4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride

C7H14ClNO2 — CID 87206674

IUPAC4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
SMILESC=C(CCN(C)C)C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6(7(9)10)4-5-8(2)3;/h1,4-5H2,2-3H3,(H,9,10);1H
InChIKeyWWOCVDBOQZKNDL-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.00
Rot. Bonds4

About 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride

4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride (PubChem CID 87206674) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
PubChem CID87206674
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
SMILESC=C(CCN(C)C)C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6(7(9)10)4-5-8(2)3;/h1,4-5H2,2-3H3,(H,9,10);1H
InChIKeyWWOCVDBOQZKNDL-UHFFFAOYSA-N
XLogP1.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
4-(dimethylamino)-2-methylidenebutanoic acid;phenylmethanamine;hydrochloride
CID 175003211
4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
CID 87438764
4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid
CID 174790892
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride
CID 173263480
4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
CID 87949068
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
4-(dihexylamino)-2-methylidenebutanoic acid
CID 54357423
prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate
CID 87182832
2-methylidenepentanoic acid;hydrate
CID 88770361

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride?
The IUPAC name of 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride (CID 87206674) is 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride is C=C(CCN(C)C)C(=O)O.Cl.
What is the InChIKey of 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride?
The InChIKey is WWOCVDBOQZKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-6(7(9)10)4-5-8(2)3;/h1,4-5H2,2-3H3,(H,9,10);1H.
What are the key properties of 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride?
4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride is sourced from PubChem (CID 87206674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).