2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid

C14H18ClNO4 — CID 61007679

IUPAC2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H18ClNO4/c1-3-6-16(9-14(18)19)13(17)8-10-7-11(15)4-5-12(10)20-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,19)
InChIKeyCOAMAZXXSARYOJ-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.21
Rot. Bonds7

About 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid

2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid (PubChem CID 61007679) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
PubChem CID61007679
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H18ClNO4/c1-3-6-16(9-14(18)19)13(17)8-10-7-11(15)4-5-12(10)20-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,19)
InChIKeyCOAMAZXXSARYOJ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
CID 110767187
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]-methylamino]butanoic acid
CID 43092874
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347663
2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110767251
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
CID 61010059
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 31185288
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid
CID 119204807
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid (CID 61007679) is 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid?
The InChIKey is COAMAZXXSARYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-3-6-16(9-14(18)19)13(17)8-10-7-11(15)4-5-12(10)20-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid?
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid has a molecular weight of 299.75 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 61007679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).