5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid

C10H19NO2 — CID 57220053

IUPAC5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid
SMILESCCC(CCN(C)C)=C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-9(6-7-11(3)4)8(2)10(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyULBOONPTGYVECK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds5

About 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid

5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid (PubChem CID 57220053) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid
PubChem CID57220053
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid
SMILESCCC(CCN(C)C)=C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-9(6-7-11(3)4)8(2)10(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyULBOONPTGYVECK-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.75
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

Dimethylaminoethylmethacrylic acid
CID 53695273
Dimethylaminopropyl methacrylic acid
CID 54065424
(Diethylamino)ethyl methacrylic acid
CID 54133229
2-Fluoro-2-(1-propylpiperidin-4-ylidene)acetic acid
CID 79728907
(E)-5-(dimethylamino)-2-methylpent-2-enoic acid
CID 11521127
(Z)-3-[1-(dimethylamino)ethyl]-2-methylundec-2-enoic acid
CID 17867905
(E)-3-(dibutylamino)-2-methylhex-2-enoic acid
CID 17883961
4-butyl-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 20139414
(E)-5-(diethylamino)-2-methylpent-2-enoic acid
CID 20440857
(E)-3-(dipropylamino)-2-methylpent-2-enoic acid
CID 22378354
(E)-5-(dipropylamino)-2-methylpent-2-enoic acid
CID 23065066
(E)-3-(dipentylamino)-2-methylpent-2-enoic acid
CID 23166160

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid?
The IUPAC name of 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid (CID 57220053) is 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid?
The canonical SMILES for 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid is CCC(CCN(C)C)=C(C)C(=O)O.
What is the InChIKey of 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid?
The InChIKey is ULBOONPTGYVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(6-7-11(3)4)8(2)10(12)13/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid?
5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-ethyl-2-methylpent-2-enoic acid is sourced from PubChem (CID 57220053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).