2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid

C15H24N2O2 — CID 115240661

IUPAC2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid
SMILESCc1ccc(C(C)(C)C)cc1CNCC(N)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-10-5-6-12(15(2,3)4)7-11(10)8-17-9-13(16)14(18)19/h5-7,13,17H,8-9,16H2,1-4H3,(H,18,19)
InChIKeySDABREZFXHTBTP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds5

About 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid

2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid (PubChem CID 115240661) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid
PubChem CID115240661
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid
SMILESCc1ccc(C(C)(C)C)cc1CNCC(N)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-10-5-6-12(15(2,3)4)7-11(10)8-17-9-13(16)14(18)19/h5-7,13,17H,8-9,16H2,1-4H3,(H,18,19)
InChIKeySDABREZFXHTBTP-UHFFFAOYSA-N
XLogP1.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115240689
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
CID 115251439
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
methyl 3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoate
CID 115232370
2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
2-amino-3-[2-(2,4,5-trimethylphenyl)ethylamino]propanoic acid
CID 115240850
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
3-(5-tert-butyl-2-methylphenyl)-2,2-difluoropropanoic acid
CID 116838224

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid (CID 115240661) is 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid is Cc1ccc(C(C)(C)C)cc1CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid?
The InChIKey is SDABREZFXHTBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-6-12(15(2,3)4)7-11(10)8-17-9-13(16)14(18)19/h5-7,13,17H,8-9,16H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid?
2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 115240661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).