2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid

C15H24N2O2 — CID 115240811

IUPAC2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
SMILESCC(C)(C)c1ccc(CCNCC(N)C(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-6-4-11(5-7-12)8-9-17-10-13(16)14(18)19/h4-7,13,17H,8-10,16H2,1-3H3,(H,18,19)
InChIKeyKPHNQVQCRYVRBM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.53
Rot. Bonds6

About 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid

2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid (PubChem CID 115240811) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
PubChem CID115240811
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
SMILESCC(C)(C)c1ccc(CCNCC(N)C(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-6-4-11(5-7-12)8-9-17-10-13(16)14(18)19/h4-7,13,17H,8-10,16H2,1-3H3,(H,18,19)
InChIKeyKPHNQVQCRYVRBM-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
CID 64582443
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115240814
2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid
CID 115240661
2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 115240823
(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119706734
4-[2-(4-tert-butylphenyl)ethylamino]-2,2-dimethylbutanoic acid
CID 122127415
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid?
The IUPAC name of 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid (CID 115240811) is 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid is CC(C)(C)c1ccc(CCNCC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid?
The InChIKey is KPHNQVQCRYVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)12-6-4-11(5-7-12)8-9-17-10-13(16)14(18)19/h4-7,13,17H,8-10,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid?
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 115240811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).