2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid

C14H18ClNO4 — CID 61011692

IUPAC2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C14H18ClNO4/c1-2-8-16(10-14(18)19)13(17)7-9-20-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyVIXKKNLXMPHHHF-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.43
Rot. Bonds8

About 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid

2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid (PubChem CID 61011692) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
PubChem CID61011692
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C14H18ClNO4/c1-2-8-16(10-14(18)19)13(17)7-9-20-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyVIXKKNLXMPHHHF-UHFFFAOYSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-[carboxymethyl-[3-(2-chlorophenoxy)propanoyl]amino]acetic acid
CID 63651815
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
2-[2-(2-chlorophenoxy)ethyl-propylamino]acetic acid
CID 54899208
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
2-[3-(2-chlorophenoxy)propanoyl-cyclopropylamino]acetic acid
CID 60826398
2-[3-(4-methoxyphenoxy)propanoyl-propylamino]acetic acid
CID 61013285
2-[[2-(2-bromophenoxy)acetyl]-propylamino]acetic acid
CID 120519580
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
3-(2-chlorophenoxy)-N,N-bis(cyanomethyl)propanamide
CID 60613497
2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
CID 54898573
2-[3-(2-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817927

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid?
The IUPAC name of 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid (CID 61011692) is 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid?
The canonical SMILES for 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CCOc1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid?
The InChIKey is VIXKKNLXMPHHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-2-8-16(10-14(18)19)13(17)7-9-20-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid?
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid has a molecular weight of 299.75 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid is sourced from PubChem (CID 61011692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).