2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid

C11H20N2O3 — CID 87269994

IUPAC2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NC(CC)C(C(=O)O)N(C)C
InChIInChI=1S/C11H20N2O3/c1-6-8(12-10(14)7(2)3)9(11(15)16)13(4)5/h8-9H,2,6H2,1,3-5H3,(H,12,14)(H,15,16)
InChIKeyZGLMQUNOYDRZBW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.47
Rot. Bonds6

About 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid

2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid (PubChem CID 87269994) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid
PubChem CID87269994
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NC(CC)C(C(=O)O)N(C)C
InChIInChI=1S/C11H20N2O3/c1-6-8(12-10(14)7(2)3)9(11(15)16)13(4)5/h8-9H,2,6H2,1,3-5H3,(H,12,14)(H,15,16)
InChIKeyZGLMQUNOYDRZBW-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid (CID 87269994) is 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid is C=C(C)C(=O)NC(CC)C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid?
The InChIKey is ZGLMQUNOYDRZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6-8(12-10(14)7(2)3)9(11(15)16)13(4)5/h8-9H,2,6H2,1,3-5H3,(H,12,14)(H,15,16).
What are the key properties of 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid?
2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 87269994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).