2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid

C10H14N2O3 — CID 64617723

IUPAC2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid
SMILESC#CCNC(=O)CN1CC(CC(=O)O)C1
InChIInChI=1S/C10H14N2O3/c1-2-3-11-9(13)7-12-5-8(6-12)4-10(14)15/h1,8H,3-7H2,(H,11,13)(H,14,15)
InChIKeyZRGAWKSNHKIABG-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.86
Rot. Bonds5

About 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid

2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid (PubChem CID 64617723) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid
PubChem CID64617723
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid
SMILESC#CCNC(=O)CN1CC(CC(=O)O)C1
InChIInChI=1S/C10H14N2O3/c1-2-3-11-9(13)7-12-5-8(6-12)4-10(14)15/h1,8H,3-7H2,(H,11,13)(H,14,15)
InChIKeyZRGAWKSNHKIABG-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[8-[2-oxo-2-(prop-2-ynylamino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606579
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618906
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-ynylacetamide
CID 60672218
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616897
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
CID 78913114
N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 42542709

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid (CID 64617723) is 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid is C#CCNC(=O)CN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid?
The InChIKey is ZRGAWKSNHKIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-11-9(13)7-12-5-8(6-12)4-10(14)15/h1,8H,3-7H2,(H,11,13)(H,14,15).
What are the key properties of 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid?
2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).