5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid

C17H24ClNO5 — CID 119234484

IUPAC5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
SMILESCOc1cc(C(=O)NCCCCC(=O)O)cc(Cl)c1OCC(C)C
InChIInChI=1S/C17H24ClNO5/c1-11(2)10-24-16-13(18)8-12(9-14(16)23-3)17(22)19-7-5-4-6-15(20)21/h8-9,11H,4-7,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKWJSUBBCHLCLEF-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.37
Rot. Bonds10

About 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid

5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid (PubChem CID 119234484) has the molecular formula C17H24ClNO5 and a molecular weight of 357.83 g/mol. Its IUPAC name is 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
PubChem CID119234484
Molecular FormulaC17H24ClNO5
Molecular Weight357.83 g/mol
Exact Mass357.13
IUPAC Name5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
SMILESCOc1cc(C(=O)NCCCCC(=O)O)cc(Cl)c1OCC(C)C
InChIInChI=1S/C17H24ClNO5/c1-11(2)10-24-16-13(18)8-12(9-14(16)23-3)17(22)19-7-5-4-6-15(20)21/h8-9,11H,4-7,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKWJSUBBCHLCLEF-UHFFFAOYSA-N
XLogP3.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
4-[[4-(difluoromethoxy)-3,5-dimethoxybenzoyl]amino]butanoic acid
CID 119352935
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid (CID 119234484) is 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid is COc1cc(C(=O)NCCCCC(=O)O)cc(Cl)c1OCC(C)C.
What is the InChIKey of 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
The InChIKey is KWJSUBBCHLCLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO5/c1-11(2)10-24-16-13(18)8-12(9-14(16)23-3)17(22)19-7-5-4-6-15(20)21/h8-9,11H,4-7,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid?
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid has a molecular weight of 357.83 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119234484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).