2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid

C14H18ClNO3 — CID 119205856

IUPAC2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-2-16(10-14(18)19)13(17)5-3-4-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3,(H,18,19)
InChIKeyVHSXTBNEGHLVLR-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.60
Rot. Bonds7

About 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid

2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid (PubChem CID 119205856) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
PubChem CID119205856
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-2-16(10-14(18)19)13(17)5-3-4-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3,(H,18,19)
InChIKeyVHSXTBNEGHLVLR-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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Related Compounds

2-[4-(3,4-dichlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205864
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 54901266
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid (CID 119205856) is 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid?
The InChIKey is VHSXTBNEGHLVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-16(10-14(18)19)13(17)5-3-4-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid?
2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic 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 2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid is sourced from PubChem (CID 119205856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).