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

C14H20N2O3 — CID 82687958

IUPAC5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2-7-14(18)19)9-16-13(17)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyGZCRCXMBGRCMLL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds7

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

5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 82687958) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
PubChem CID82687958
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2-7-14(18)19)9-16-13(17)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyGZCRCXMBGRCMLL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82689160
5-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-methylpentanoic acid
CID 107339460
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
4-methyl-5-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 82010120
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
5-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82688209
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
N-[(2R)-4-hydroxy-2-methylbutyl]-2-(4-iodophenyl)acetamide
CID 100622638
N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114306229

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid (CID 82687958) is 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is GZCRCXMBGRCMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2-7-14(18)19)9-16-13(17)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
5-[[2-(4-aminophenyl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.43, 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]-4-methylpentanoic acid is sourced from PubChem (CID 82687958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).