2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid

C11H19NO2 — CID 20984603

IUPAC2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid
SMILESC=CCN(CC=C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-12(8-6-2)10(9(3)4)11(13)14/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,14)
InChIKeyBRULZBCMMDYDBG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid

2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid (PubChem CID 20984603) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid
PubChem CID20984603
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid
SMILESC=CCN(CC=C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-12(8-6-2)10(9(3)4)11(13)14/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,14)
InChIKeyBRULZBCMMDYDBG-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
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]-3-methylbutanoic acid?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid (CID 20984603) is 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid is C=CCN(CC=C)C(C(=O)O)C(C)C.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid?
The InChIKey is BRULZBCMMDYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-12(8-6-2)10(9(3)4)11(13)14/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,13,14).
What are the key properties of 2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid?
2-[bis(prop-2-enyl)amino]-3-methylbutanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.77, 7 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]-3-methylbutanoic acid is sourced from PubChem (CID 20984603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).