2-[but-3-ynyl(2-methylpropyl)amino]acetic acid

C10H17NO2 — CID 63065219

IUPAC2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
SMILESC#CCCN(CC(=O)O)CC(C)C
InChIInChI=1S/C10H17NO2/c1-4-5-6-11(7-9(2)3)8-10(12)13/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyCQOPBDANOBLDMC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.05
Rot. Bonds6

About 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid

2-[but-3-ynyl(2-methylpropyl)amino]acetic acid (PubChem CID 63065219) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
PubChem CID63065219
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
SMILESC#CCCN(CC(=O)O)CC(C)C
InChIInChI=1S/C10H17NO2/c1-4-5-6-11(7-9(2)3)8-10(12)13/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyCQOPBDANOBLDMC-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid (CID 63065219) is 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid is C#CCCN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid?
The InChIKey is CQOPBDANOBLDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-6-11(7-9(2)3)8-10(12)13/h1,9H,5-8H2,2-3H3,(H,12,13).
What are the key properties of 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid?
2-[but-3-ynyl(2-methylpropyl)amino]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-3-ynyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).