2-[(4-butoxybenzoyl)amino]oxyacetic acid

C13H17NO5 — CID 60667844

IUPAC2-[(4-butoxybenzoyl)amino]oxyacetic acid
SMILESCCCCOc1ccc(C(=O)NOCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-19-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyIYGPCAJACRKHOP-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.61
Rot. Bonds8

About 2-[(4-butoxybenzoyl)amino]oxyacetic acid

2-[(4-butoxybenzoyl)amino]oxyacetic acid (PubChem CID 60667844) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(4-butoxybenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-butoxybenzoyl)amino]oxyacetic acid
PubChem CID60667844
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(4-butoxybenzoyl)amino]oxyacetic acid
SMILESCCCCOc1ccc(C(=O)NOCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-19-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyIYGPCAJACRKHOP-UHFFFAOYSA-N
XLogP1.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
4-butoxy-N-tert-butylbenzamide
CID 60643031
4-heptoxy-N-methylbenzamide
CID 3291691
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
3-(4-hexoxyphenyl)-3-oxopropanoic acid
CID 170886905

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxybenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-butoxybenzoyl)amino]oxyacetic acid (CID 60667844) is 2-[(4-butoxybenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-butoxybenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-butoxybenzoyl)amino]oxyacetic acid is CCCCOc1ccc(C(=O)NOCC(=O)O)cc1.
What is the InChIKey of 2-[(4-butoxybenzoyl)amino]oxyacetic acid?
The InChIKey is IYGPCAJACRKHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-19-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(4-butoxybenzoyl)amino]oxyacetic acid?
2-[(4-butoxybenzoyl)amino]oxyacetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxybenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 60667844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).