4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid

C14H18ClNO4 — CID 120689371

IUPAC4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCOc1cccc(Cl)c1CC(=O)NC(C)CCC(=O)O
InChIInChI=1S/C14H18ClNO4/c1-9(6-7-14(18)19)16-13(17)8-10-11(15)4-3-5-12(10)20-2/h3-5,9H,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNIXXJMUDZRVWJB-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.26
Rot. Bonds7

About 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid

4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 120689371) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
PubChem CID120689371
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCOc1cccc(Cl)c1CC(=O)NC(C)CCC(=O)O
InChIInChI=1S/C14H18ClNO4/c1-9(6-7-14(18)19)16-13(17)8-10-11(15)4-3-5-12(10)20-2/h3-5,9H,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNIXXJMUDZRVWJB-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,6-dimethoxyphenyl)acetyl]amino]butanoic acid
CID 119347863
(2S)-2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 57102690
3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444
2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid
CID 120689537
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
4-amino-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 117361097
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
4-chloro-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 103440294
3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133225046
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid (CID 120689371) is 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid is COc1cccc(Cl)c1CC(=O)NC(C)CCC(=O)O.
What is the InChIKey of 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is NIXXJMUDZRVWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-9(6-7-14(18)19)16-13(17)8-10-11(15)4-3-5-12(10)20-2/h3-5,9H,6-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid?
4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 299.75 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 120689371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).