2-(dimethylamino)butanoic acid;hydrochloride

C6H14ClNO2 — CID 71756398

IUPAC2-(dimethylamino)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)N(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-5(6(8)9)7(2)3;/h5H,4H2,1-3H3,(H,8,9);1H
InChIKeyLYVKSKAVQYPYRW-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.83
Rot. Bonds3

About 2-(dimethylamino)butanoic acid;hydrochloride

2-(dimethylamino)butanoic acid;hydrochloride (PubChem CID 71756398) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(dimethylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)butanoic acid;hydrochloride
PubChem CID71756398
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name2-(dimethylamino)butanoic acid;hydrochloride
SMILESCCC(C(=O)O)N(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-5(6(8)9)7(2)3;/h5H,4H2,1-3H3,(H,8,9);1H
InChIKeyLYVKSKAVQYPYRW-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11008044
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CID 425415
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CID 14274716
CID 14274716
CID 151045
CID 151045
CID 15115621
CID 15115621
CID 17883462
CID 17883462
CID 25758183
CID 25758183
CID 40493914
CID 40493914
CID 45792018
CID 45792018
CID 54594122
CID 54594122
CID 67892510
CID 67892510

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)butanoic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)butanoic acid;hydrochloride (CID 71756398) is 2-(dimethylamino)butanoic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)butanoic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)butanoic acid;hydrochloride is CCC(C(=O)O)N(C)C.Cl.
What is the InChIKey of 2-(dimethylamino)butanoic acid;hydrochloride?
The InChIKey is LYVKSKAVQYPYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4-5(6(8)9)7(2)3;/h5H,4H2,1-3H3,(H,8,9);1H.
What are the key properties of 2-(dimethylamino)butanoic acid;hydrochloride?
2-(dimethylamino)butanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 71756398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).