2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid

C12H21NO2 — CID 86291801

IUPAC2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid
SMILESC=CCN(CC=C)C(CC(C)C)C(=O)O
InChIInChI=1S/C12H21NO2/c1-5-7-13(8-6-2)11(12(14)15)9-10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,14,15)
InChIKeyLGSNOXXJLHWXLS-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.16
Rot. Bonds8

About 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid

2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid (PubChem CID 86291801) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid
PubChem CID86291801
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid
SMILESC=CCN(CC=C)C(CC(C)C)C(=O)O
InChIInChI=1S/C12H21NO2/c1-5-7-13(8-6-2)11(12(14)15)9-10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,14,15)
InChIKeyLGSNOXXJLHWXLS-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid (CID 86291801) is 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid is C=CCN(CC=C)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid?
The InChIKey is LGSNOXXJLHWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-7-13(8-6-2)11(12(14)15)9-10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,14,15).
What are the key properties of 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid?
2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 86291801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).