4-[N-(2-aminopentanoyl)anilino]butanoic acid

C15H22N2O3 — CID 61162052

IUPAC4-[N-(2-aminopentanoyl)anilino]butanoic acid
SMILESCCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-7-13(16)15(20)17(11-6-10-14(18)19)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11,16H2,1H3,(H,18,19)
InChIKeyZJWUKBDFMBOPSB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.01
Rot. Bonds8

About 4-[N-(2-aminopentanoyl)anilino]butanoic acid

4-[N-(2-aminopentanoyl)anilino]butanoic acid (PubChem CID 61162052) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[N-(2-aminopentanoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-aminopentanoyl)anilino]butanoic acid
PubChem CID61162052
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[N-(2-aminopentanoyl)anilino]butanoic acid
SMILESCCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-7-13(16)15(20)17(11-6-10-14(18)19)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11,16H2,1H3,(H,18,19)
InChIKeyZJWUKBDFMBOPSB-UHFFFAOYSA-N
XLogP2.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
CID 62473233
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
3-amino-4-[N-(2-carboxyethyl)anilino]-4-oxobutanoic acid
CID 64897103
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
CID 119314161

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-aminopentanoyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-aminopentanoyl)anilino]butanoic acid (CID 61162052) is 4-[N-(2-aminopentanoyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-aminopentanoyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-aminopentanoyl)anilino]butanoic acid is CCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-(2-aminopentanoyl)anilino]butanoic acid?
The InChIKey is ZJWUKBDFMBOPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-7-13(16)15(20)17(11-6-10-14(18)19)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11,16H2,1H3,(H,18,19).
What are the key properties of 4-[N-(2-aminopentanoyl)anilino]butanoic acid?
4-[N-(2-aminopentanoyl)anilino]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-aminopentanoyl)anilino]butanoic acid is sourced from PubChem (CID 61162052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).