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

C13H20N2O2 — CID 79268256

IUPAC2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
SMILESCC(c1ccccn1)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10(11-7-5-6-8-14-11)15(9-12(16)17)13(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyVVNXFPYODACCTG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds4

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

2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid (PubChem CID 79268256) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
PubChem CID79268256
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
SMILESCC(c1ccccn1)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10(11-7-5-6-8-14-11)15(9-12(16)17)13(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyVVNXFPYODACCTG-UHFFFAOYSA-N
XLogP2.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
CID 110838590
2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
CID 79263498
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
5,5-dimethyl-3-pyridin-2-ylhexanoic acid
CID 71168510
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
2-[ethyl(1-pyridin-2-ylethylcarbamoyl)amino]acetic acid
CID 61199222
2-[tert-butyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 79268430

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid (CID 79268256) is 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid is CC(c1ccccn1)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid?
The InChIKey is VVNXFPYODACCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(11-7-5-6-8-14-11)15(9-12(16)17)13(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid?
2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid has a molecular weight of 236.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 79268256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).