2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid

C9H15NO3 — CID 62310172

IUPAC2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid
SMILESCC#CCN(CCOC)CC(=O)O
InChIInChI=1S/C9H15NO3/c1-3-4-5-10(6-7-13-2)8-9(11)12/h5-8H2,1-2H3,(H,11,12)
InChIKeyQRBDLZYPPUFEBA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.04
Rot. Bonds6

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

2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid (PubChem CID 62310172) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid
PubChem CID62310172
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid
SMILESCC#CCN(CCOC)CC(=O)O
InChIInChI=1S/C9H15NO3/c1-3-4-5-10(6-7-13-2)8-9(11)12/h5-8H2,1-2H3,(H,11,12)
InChIKeyQRBDLZYPPUFEBA-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[but-2-ynyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257955
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394
3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 54969400
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[2-methoxyethyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]acetic acid
CID 62626971
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839
methyl 2-[but-2-ynyl(ethyl)amino]acetate
CID 62309802
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496

Frequently Asked Questions

What is the IUPAC name of 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid (CID 62310172) is 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid is CC#CCN(CCOC)CC(=O)O.
What is the InChIKey of 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is QRBDLZYPPUFEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-4-5-10(6-7-13-2)8-9(11)12/h5-8H2,1-2H3,(H,11,12).
What are the key properties of 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid?
2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-ynyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 62310172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).