3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid

C14H18ClNO3 — CID 75428906

IUPAC3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-2-16(10-9-14(18)19)13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19)
InChIKeyHDOZZJSFEIVJNC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.60
Rot. Bonds7

About 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid

3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid (PubChem CID 75428906) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid
PubChem CID75428906
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-2-16(10-9-14(18)19)13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19)
InChIKeyHDOZZJSFEIVJNC-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid?
The IUPAC name of 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid (CID 75428906) is 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid.
What is the SMILES notation for 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid?
The canonical SMILES for 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid?
The InChIKey is HDOZZJSFEIVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-16(10-9-14(18)19)13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19).
What are the key properties of 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid?
3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)propanoyl-ethylamino]propanoic acid is sourced from PubChem (CID 75428906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).