2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid

C7H12ClNO2 — CID 62638529

IUPAC2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid
SMILESC=C(Cl)CN(C)C(C)C(=O)O
InChIInChI=1S/C7H12ClNO2/c1-5(8)4-9(3)6(2)7(10)11/h6H,1,4H2,2-3H3,(H,10,11)
InChIKeyBHXWGMQXHOARFY-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.14
Rot. Bonds4

About 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid

2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid (PubChem CID 62638529) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid
PubChem CID62638529
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid
SMILESC=C(Cl)CN(C)C(C)C(=O)O
InChIInChI=1S/C7H12ClNO2/c1-5(8)4-9(3)6(2)7(10)11/h6H,1,4H2,2-3H3,(H,10,11)
InChIKeyBHXWGMQXHOARFY-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid (CID 62638529) is 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid is C=C(Cl)CN(C)C(C)C(=O)O.
What is the InChIKey of 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid?
The InChIKey is BHXWGMQXHOARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-5(8)4-9(3)6(2)7(10)11/h6H,1,4H2,2-3H3,(H,10,11).
What are the key properties of 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid?
2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid has a molecular weight of 177.63 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroprop-2-enyl(methyl)amino]propanoic acid is sourced from PubChem (CID 62638529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).