5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid

C14H19NO4 — CID 62031956

IUPAC5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
SMILESCOCc1ccccc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-19-10-11-6-2-3-7-12(11)14(18)15-9-5-4-8-13(16)17/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyIKRBRTFRKPZIDB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.82
Rot. Bonds8

About 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid

5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid (PubChem CID 62031956) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
PubChem CID62031956
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
SMILESCOCc1ccccc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-19-10-11-6-2-3-7-12(11)14(18)15-9-5-4-8-13(16)17/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyIKRBRTFRKPZIDB-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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

N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N,2-bis(methoxymethyl)benzamide
CID 91153220
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
2-[4-[2-[[2-(methoxymethyl)benzoyl]amino]ethyl]phenoxy]acetic acid
CID 119255595
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid (CID 62031956) is 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid is COCc1ccccc1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid?
The InChIKey is IKRBRTFRKPZIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-10-11-6-2-3-7-12(11)14(18)15-9-5-4-8-13(16)17/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid?
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 62031956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).