4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid

C15H22N2O4 — CID 62473233

IUPAC4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
SMILESCOCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-21-11-9-13(16)15(20)17(10-5-8-14(18)19)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19)
InChIKeyOXLCWEMDNOYGLG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.25
Rot. Bonds9

About 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid

4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid (PubChem CID 62473233) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid.

Molecular Properties

Compound Name4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
PubChem CID62473233
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
SMILESCOCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-21-11-9-13(16)15(20)17(10-5-8-14(18)19)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19)
InChIKeyOXLCWEMDNOYGLG-UHFFFAOYSA-N
XLogP1.25
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
3-amino-4-[N-(2-carboxyethyl)anilino]-4-oxobutanoic acid
CID 64897103
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
2-amino-N-ethyl-4-methoxy-N-(2-methylphenyl)butanamide
CID 62472432

Frequently Asked Questions

What is the IUPAC name of 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid?
The IUPAC name of 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid (CID 62473233) is 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid.
What is the SMILES notation for 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid?
The canonical SMILES for 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid is COCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid?
The InChIKey is OXLCWEMDNOYGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-11-9-13(16)15(20)17(10-5-8-14(18)19)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,18,19).
What are the key properties of 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid?
4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid is sourced from PubChem (CID 62473233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).