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

C16H24N2O3 — CID 61159735

IUPAC4-[N-(2-aminohexanoyl)anilino]butanoic acid
SMILESCCCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-2-3-10-14(17)16(21)18(12-7-11-15(19)20)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,17H2,1H3,(H,19,20)
InChIKeyLRTYMQDODJYWMB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.40
Rot. Bonds9

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

4-[N-(2-aminohexanoyl)anilino]butanoic acid (PubChem CID 61159735) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[N-(2-aminohexanoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-aminohexanoyl)anilino]butanoic acid
PubChem CID61159735
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[N-(2-aminohexanoyl)anilino]butanoic acid
SMILESCCCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-2-3-10-14(17)16(21)18(12-7-11-15(19)20)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,17H2,1H3,(H,19,20)
InChIKeyLRTYMQDODJYWMB-UHFFFAOYSA-N
XLogP2.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
CID 62473233
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
3-amino-4-[N-(2-carboxyethyl)anilino]-4-oxobutanoic acid
CID 64897103
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-aminohexanoyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-aminohexanoyl)anilino]butanoic acid (CID 61159735) is 4-[N-(2-aminohexanoyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-aminohexanoyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-aminohexanoyl)anilino]butanoic acid is CCCCC(N)C(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-(2-aminohexanoyl)anilino]butanoic acid?
The InChIKey is LRTYMQDODJYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-10-14(17)16(21)18(12-7-11-15(19)20)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12,17H2,1H3,(H,19,20).
What are the key properties of 4-[N-(2-aminohexanoyl)anilino]butanoic acid?
4-[N-(2-aminohexanoyl)anilino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-aminohexanoyl)anilino]butanoic acid is sourced from PubChem (CID 61159735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).