3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid

C9H14ClNO2 — CID 60839207

IUPAC3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid
SMILESC=C(Cl)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C9H14ClNO2/c1-7(10)6-11(8-2-3-8)5-4-9(12)13/h8H,1-6H2,(H,12,13)
InChIKeyJXJVBJLZKOGHGO-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.68
Rot. Bonds6

About 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid

3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid (PubChem CID 60839207) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid
PubChem CID60839207
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid
SMILESC=C(Cl)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C9H14ClNO2/c1-7(10)6-11(8-2-3-8)5-4-9(12)13/h8H,1-6H2,(H,12,13)
InChIKeyJXJVBJLZKOGHGO-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid (CID 60839207) is 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid is C=C(Cl)CN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid?
The InChIKey is JXJVBJLZKOGHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-7(10)6-11(8-2-3-8)5-4-9(12)13/h8H,1-6H2,(H,12,13).
What are the key properties of 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid?
3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid has a molecular weight of 203.67 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloroprop-2-enyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 60839207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).