2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid

C15H21NO5 — CID 43630645

IUPAC2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCOc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-4-13(15(18)19)16-14(17)9-10-21-12-7-5-11(20-2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVNOAQKAQBXAAAB-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.83
Rot. Bonds9

About 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid

2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid (PubChem CID 43630645) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid
PubChem CID43630645
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCOc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-4-13(15(18)19)16-14(17)9-10-21-12-7-5-11(20-2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVNOAQKAQBXAAAB-UHFFFAOYSA-N
XLogP1.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927074
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
(2R)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927075
(2S)-2-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 107144586
(2S)-2-[3-(3-chlorophenoxy)propanoylamino]pentanoic acid
CID 107564597
(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136509
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
5-amino-2-[3-(4-methylphenoxy)propanoylamino]-5-oxopentanoic acid
CID 108789938
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 94966664
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid?
The IUPAC name of 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid (CID 43630645) is 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid is CCCC(NC(=O)CCOc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid?
The InChIKey is VNOAQKAQBXAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-4-13(15(18)19)16-14(17)9-10-21-12-7-5-11(20-2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid?
2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)propanoylamino]pentanoic acid is sourced from PubChem (CID 43630645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).