2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid

C17H25NO4 — CID 120688282

IUPAC2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCCC(C(=O)N(CC(=O)O)C(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO4/c1-5-12(3)18(11-16(19)20)17(21)15(6-2)13-7-9-14(22-4)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyCVIDRMILWHNZEI-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.90
Rot. Bonds8

About 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid

2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid (PubChem CID 120688282) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
PubChem CID120688282
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCCC(C(=O)N(CC(=O)O)C(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO4/c1-5-12(3)18(11-16(19)20)17(21)15(6-2)13-7-9-14(22-4)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyCVIDRMILWHNZEI-UHFFFAOYSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
CID 115749928
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
2-[butan-2-yl(phenoxycarbonyl)amino]acetic acid
CID 54925597
3-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)butanoylamino]propanoic acid
CID 120684395
2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
CID 119189812

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid (CID 120688282) is 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid is CCC(C(=O)N(CC(=O)O)C(C)CC)c1ccc(OC)cc1.
What is the InChIKey of 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The InChIKey is CVIDRMILWHNZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-12(3)18(11-16(19)20)17(21)15(6-2)13-7-9-14(22-4)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid has a molecular weight of 307.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 120688282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).