2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid

C16H23NO4 — CID 62478568

IUPAC2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)12-7-5-11(6-8-12)14(18)17-13(15(19)20)9-10-21-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyZCWDLEPSMXUITQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.20
Rot. Bonds6

About 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid

2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 62478568) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
PubChem CID62478568
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)12-7-5-11(6-8-12)14(18)17-13(15(19)20)9-10-21-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyZCWDLEPSMXUITQ-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
4-methoxy-2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]butanoic acid
CID 120702424
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybutanoic acid
CID 80555164
2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid
CID 120702262
2-[(6-tert-butyl-1H-indole-2-carbonyl)amino]-4-methoxybutanoic acid
CID 120702552
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid (CID 62478568) is 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is ZCWDLEPSMXUITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)12-7-5-11(6-8-12)14(18)17-13(15(19)20)9-10-21-4/h5-8,13H,9-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid?
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).