2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid

C18H23NO2 — CID 79263498

IUPAC2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
SMILESCC(c1ccc2ccccc2c1)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C18H23NO2/c1-13(19(12-17(20)21)18(2,3)4)15-10-9-14-7-5-6-8-16(14)11-15/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyPDVGBDKKFASGHA-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.09
Rot. Bonds4

About 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid

2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid (PubChem CID 79263498) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
PubChem CID79263498
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
SMILESCC(c1ccc2ccccc2c1)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C18H23NO2/c1-13(19(12-17(20)21)18(2,3)4)15-10-9-14-7-5-6-8-16(14)11-15/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyPDVGBDKKFASGHA-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
2-[tert-butyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 79268430
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356
2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
CID 79268256
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
CID 72701934
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623
methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
CID 22348138
4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025
2-[1-(4-bromo-2-chlorophenyl)ethyl-tert-butylamino]acetic acid
CID 82781210

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid (CID 79263498) is 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid is CC(c1ccc2ccccc2c1)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid?
The InChIKey is PDVGBDKKFASGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(19(12-17(20)21)18(2,3)4)15-10-9-14-7-5-6-8-16(14)11-15/h5-11,13H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid?
2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 79263498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).