4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid

C14H20N2O3 — CID 65350447

IUPAC4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,7-6-13(18)19)16-12(17)9-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZKLMEYNHVCAMIW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.57
Rot. Bonds6

About 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid

4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 65350447) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
PubChem CID65350447
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,7-6-13(18)19)16-12(17)9-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZKLMEYNHVCAMIW-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357254
3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
3-[[2-(3-aminophenyl)acetyl]-tert-butylamino]propanoic acid
CID 65349923
4-[3-(3,5-dimethylphenyl)propanoylamino]-4-methylpentanoic acid
CID 120519483
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 65349911
2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 65350197
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 65350441
5-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82689160
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695577

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid (CID 65350447) is 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is ZKLMEYNHVCAMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,7-6-13(18)19)16-12(17)9-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid?
4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 65350447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).