2-(2,3-diamino-6-phenylphenyl)pentanoic acid

C17H20N2O2 — CID 57185698

IUPAC2-(2,3-diamino-6-phenylphenyl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(-c2ccccc2)ccc(N)c1N
InChIInChI=1S/C17H20N2O2/c1-2-6-13(17(20)21)15-12(9-10-14(18)16(15)19)11-7-4-3-5-8-11/h3-5,7-10,13H,2,6,18-19H2,1H3,(H,20,21)
InChIKeyBMDNGQZOLJMHAA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.49
Rot. Bonds5

About 2-(2,3-diamino-6-phenylphenyl)pentanoic acid

2-(2,3-diamino-6-phenylphenyl)pentanoic acid (PubChem CID 57185698) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,3-diamino-6-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-(2,3-diamino-6-phenylphenyl)pentanoic acid
PubChem CID57185698
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2,3-diamino-6-phenylphenyl)pentanoic acid
SMILESCCCC(C(=O)O)c1c(-c2ccccc2)ccc(N)c1N
InChIInChI=1S/C17H20N2O2/c1-2-6-13(17(20)21)15-12(9-10-14(18)16(15)19)11-7-4-3-5-8-11/h3-5,7-10,13H,2,6,18-19H2,1H3,(H,20,21)
InChIKeyBMDNGQZOLJMHAA-UHFFFAOYSA-N
XLogP3.49
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.49
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

2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
2-(2-phenylphenyl)pentanoic acid
CID 67565626
2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)pentanoic acid
CID 123767989
2-[2-(diaminomethylideneamino)phenyl]pentanoic acid
CID 174893265
2-(3-aminophenyl)pentanoic acid
CID 119088607
2-[2-(4-aminophenyl)anilino]pentanoic acid
CID 22051506
4-phenyl-2-propan-2-ylbenzene-1,3-diamine
CID 141068208
2-(1-carboxybutyl)benzoic acid
CID 51041232
4-methyl-2-phenylheptanoic acid
CID 65430207
sulfanyl 2-phenylpentanoate
CID 174681002
2-(2-phenylanilino)pentanoic acid
CID 83037413
3-phenylbenzene-1,2-diamine;propane
CID 70378466

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diamino-6-phenylphenyl)pentanoic acid?
The IUPAC name of 2-(2,3-diamino-6-phenylphenyl)pentanoic acid (CID 57185698) is 2-(2,3-diamino-6-phenylphenyl)pentanoic acid.
What is the SMILES notation for 2-(2,3-diamino-6-phenylphenyl)pentanoic acid?
The canonical SMILES for 2-(2,3-diamino-6-phenylphenyl)pentanoic acid is CCCC(C(=O)O)c1c(-c2ccccc2)ccc(N)c1N.
What is the InChIKey of 2-(2,3-diamino-6-phenylphenyl)pentanoic acid?
The InChIKey is BMDNGQZOLJMHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-6-13(17(20)21)15-12(9-10-14(18)16(15)19)11-7-4-3-5-8-11/h3-5,7-10,13H,2,6,18-19H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-diamino-6-phenylphenyl)pentanoic acid?
2-(2,3-diamino-6-phenylphenyl)pentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diamino-6-phenylphenyl)pentanoic acid is sourced from PubChem (CID 57185698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).