6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid

C14H19NO5 — CID 54200792

IUPAC6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)ccc1O
InChIInChI=1S/C14H19NO5/c1-20-12-9-10(6-7-11(12)16)14(19)15-8-4-2-3-5-13(17)18/h6-7,9,16H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPPCINVMBBQTKMO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.78
Rot. Bonds8

About 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid

6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid (PubChem CID 54200792) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
PubChem CID54200792
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)ccc1O
InChIInChI=1S/C14H19NO5/c1-20-12-9-10(6-7-11(12)16)14(19)15-8-4-2-3-5-13(17)18/h6-7,9,16H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPPCINVMBBQTKMO-UHFFFAOYSA-N
XLogP1.78
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid (CID 54200792) is 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid is COc1cc(C(=O)NCCCCCC(=O)O)ccc1O.
What is the InChIKey of 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid?
The InChIKey is PPCINVMBBQTKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-20-12-9-10(6-7-11(12)16)14(19)15-8-4-2-3-5-13(17)18/h6-7,9,16H,2-5,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid?
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 54200792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).