5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid

C14H19NO4 — CID 62033755

IUPAC5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCOc1cccc(CC(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-19-12-6-4-5-11(9-12)10-13(16)15-8-3-2-7-14(17)18/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNTMRPDUQQDYGKO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds8

About 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid

5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 62033755) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
PubChem CID62033755
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCOc1cccc(CC(=O)NCCCCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-19-12-6-4-5-11(9-12)10-13(16)15-8-3-2-7-14(17)18/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNTMRPDUQQDYGKO-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid (CID 62033755) is 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid is COc1cccc(CC(=O)NCCCCC(=O)O)c1.
What is the InChIKey of 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is NTMRPDUQQDYGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-12-6-4-5-11(9-12)10-13(16)15-8-3-2-7-14(17)18/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid?
5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 62033755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).