2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid

C15H24N2O2 — CID 83041260

IUPAC2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid
SMILESCCCC(C(=O)O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-4-7-14(15(18)19)17(11(2)3)10-12-8-5-6-9-13(12)16/h5-6,8-9,11,14H,4,7,10,16H2,1-3H3,(H,18,19)
InChIKeyGREVLMITGLLYMD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.73
Rot. Bonds7

About 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid

2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid (PubChem CID 83041260) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid
PubChem CID83041260
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid
SMILESCCCC(C(=O)O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C15H24N2O2/c1-4-7-14(15(18)19)17(11(2)3)10-12-8-5-6-9-13(12)16/h5-6,8-9,11,14H,4,7,10,16H2,1-3H3,(H,18,19)
InChIKeyGREVLMITGLLYMD-UHFFFAOYSA-N
XLogP2.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
CID 62899492
2-[(2-aminophenyl)methyl-propanoylamino]butanoic acid
CID 175596185
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
N-[(2-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460402
2-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891825
methyl 2-[(2-aminophenyl)methyl-propylsulfamoyl]propanoate
CID 61458329
2-[(2-aminophenyl)methyl-propylamino]propanamide
CID 43459967
2-[amino(hydroxy)amino]-3-(2-aminophenyl)propanoic acid
CID 87228291
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
3-amino-4-[1-carboxybutyl(ethyl)amino]benzoic acid
CID 83040848

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid?
The IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid (CID 83041260) is 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid is CCCC(C(=O)O)N(Cc1ccccc1N)C(C)C.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid?
The InChIKey is GREVLMITGLLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-7-14(15(18)19)17(11(2)3)10-12-8-5-6-9-13(12)16/h5-6,8-9,11,14H,4,7,10,16H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid?
2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propan-2-ylamino]pentanoic acid is sourced from PubChem (CID 83041260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).