2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid

C14H20ClNO2 — CID 122040162

IUPAC2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-7-16(10-14(17)18)9-11(2)12-5-4-6-13(15)8-12/h4-6,8,11H,3,7,9-10H2,1-2H3,(H,17,18)
InChIKeyZDLZDLHICGDKLL-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.24
Rot. Bonds7

About 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid

2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid (PubChem CID 122040162) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid
PubChem CID122040162
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-7-16(10-14(17)18)9-11(2)12-5-4-6-13(15)8-12/h4-6,8,11H,3,7,9-10H2,1-2H3,(H,17,18)
InChIKeyZDLZDLHICGDKLL-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid (CID 122040162) is 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid is CCCN(CC(=O)O)CC(C)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid?
The InChIKey is ZDLZDLHICGDKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-7-16(10-14(17)18)9-11(2)12-5-4-6-13(15)8-12/h4-6,8,11H,3,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid?
2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid has a molecular weight of 269.77 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)propyl-propylamino]acetic acid is sourced from PubChem (CID 122040162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).