4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid

C17H25NO4 — CID 120703228

IUPAC4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)CCC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-17(2,13-7-5-4-6-8-13)11-9-15(19)18-14(16(20)21)10-12-22-3/h4-8,14H,9-12H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyGQPWXRFOMPRXOS-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.35
Rot. Bonds9

About 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid

4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid (PubChem CID 120703228) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid
PubChem CID120703228
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid
SMILESCOCCC(NC(=O)CCC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-17(2,13-7-5-4-6-8-13)11-9-15(19)18-14(16(20)21)10-12-22-3/h4-8,14H,9-12H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyGQPWXRFOMPRXOS-UHFFFAOYSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
(2R)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
4-methoxy-2-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 62478591
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
4-methoxy-2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]butanoic acid
CID 120702245
2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
CID 62478473
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479125
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
CID 120703097
2-[3-(1H-indol-3-yl)propanoylamino]-4-methoxybutanoic acid
CID 120701902
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
4-methoxy-2-[3-(1-methylindol-3-yl)propanoylamino]butanoic acid
CID 120702815

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid (CID 120703228) is 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid is COCCC(NC(=O)CCC(C)(C)c1ccccc1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid?
The InChIKey is GQPWXRFOMPRXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(2,13-7-5-4-6-8-13)11-9-15(19)18-14(16(20)21)10-12-22-3/h4-8,14H,9-12H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid?
4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid is sourced from PubChem (CID 120703228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).