4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid

C14H20N2O3 — CID 79022828

IUPAC4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
SMILESCC[C@H](N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-12(15)14(19)16(10-6-9-13(17)18)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,15H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyMUFQJDNKKJMPKY-LBPRGKRZSA-N
MW264.32 g/mol
LogP1.62
Rot. Bonds7

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

4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid (PubChem CID 79022828) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid.

Molecular Properties

Compound Name4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
PubChem CID79022828
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
SMILESCC[C@H](N)C(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-12(15)14(19)16(10-6-9-13(17)18)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,15H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyMUFQJDNKKJMPKY-LBPRGKRZSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
CID 62473233
3-[N-(2-aminobutanoyl)-4-methylanilino]propanoic acid
CID 61162035
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
3-amino-4-[N-(2-carboxyethyl)anilino]-4-oxobutanoic acid
CID 64897103
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
CID 61188489
3-(N-[(2S)-2-aminobutanoyl]-2-methylanilino)propanoic acid
CID 79023548
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
3-(N-(2-amino-3,3-dimethylbutanoyl)anilino)propanoic acid
CID 76894166

Frequently Asked Questions

What is the IUPAC name of 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid?
The IUPAC name of 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid (CID 79022828) is 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid.
What is the SMILES notation for 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid?
The canonical SMILES for 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid is CC[C@H](N)C(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid?
The InChIKey is MUFQJDNKKJMPKY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-12(15)14(19)16(10-6-9-13(17)18)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,15H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid?
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid is sourced from PubChem (CID 79022828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).