4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid

C14H18ClNO4 — CID 43359977

IUPAC4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H18ClNO4/c1-10(20-12-7-4-3-6-11(12)15)14(19)16(2)9-5-8-13(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyQHBPHZDEDRATRW-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.43
Rot. Bonds7

About 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid

4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid (PubChem CID 43359977) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
PubChem CID43359977
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H18ClNO4/c1-10(20-12-7-4-3-6-11(12)15)14(19)16(2)9-5-8-13(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyQHBPHZDEDRATRW-UHFFFAOYSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
3-[2-(2-chlorophenoxy)butanoyl-methylamino]propanoic acid
CID 119362696
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056
4-[2-(4-tert-butylphenoxy)propanoyl-methylamino]butanoic acid
CID 119172580
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
4-[methyl-[2-(4-methylsulfanylphenoxy)propanoyl]amino]butanoic acid
CID 119173255
3-[[(2R)-2-(2-chlorophenoxy)propanoyl]-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 124693217
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid?
The IUPAC name of 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid (CID 43359977) is 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid is CC(Oc1ccccc1Cl)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid?
The InChIKey is QHBPHZDEDRATRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-10(20-12-7-4-3-6-11(12)15)14(19)16(2)9-5-8-13(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid?
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid has a molecular weight of 299.75 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid is sourced from PubChem (CID 43359977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).