5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid

C14H20N2O3 — CID 82846901

IUPAC5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(3-2-4-14(18)19)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyNGNOQACAJWNFGV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.57
Rot. Bonds7

About 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid

5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid (PubChem CID 82846901) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
PubChem CID82846901
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(3-2-4-14(18)19)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyNGNOQACAJWNFGV-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82687958
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
CID 119822491
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 107146910

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid (CID 82846901) is 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid?
The InChIKey is NGNOQACAJWNFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(3-2-4-14(18)19)16-13(17)9-11-5-7-12(15)8-6-11/h5-8,10H,2-4,9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid?
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82846901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).