2-(ethynylamino)acetic acid

C4H5NO2 — CID 91216343

IUPAC2-(ethynylamino)acetic acid
SMILESC#CNCC(=O)O
InChIInChI=1S/C4H5NO2/c1-2-5-3-4(6)7/h1,5H,3H2,(H,6,7)
InChIKeyANXDEIFQHQXTFG-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.75
Rot. Bonds2

About 2-(ethynylamino)acetic acid

2-(ethynylamino)acetic acid (PubChem CID 91216343) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 2-(ethynylamino)acetic acid.

Molecular Properties

Compound Name2-(ethynylamino)acetic acid
PubChem CID91216343
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name2-(ethynylamino)acetic acid
SMILESC#CNCC(=O)O
InChIInChI=1S/C4H5NO2/c1-2-5-3-4(6)7/h1,5H,3H2,(H,6,7)
InChIKeyANXDEIFQHQXTFG-UHFFFAOYSA-N
XLogP-0.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-2-ynylamino)acetic acid
CID 88693817
2-(prop-2-ynylamino)acetic acid;hydrochloride
CID 88630833
2-(carboxymethylamino)acetic acid
CID 8897
2-[[(2S)-but-3-yn-2-yl]amino]acetic acid
CID 135221499
2-(pent-1-ynylamino)acetic acid
CID 88545091
2-[[2-(prop-2-ynylcarbamoylamino)acetyl]amino]acetic acid
CID 61192699
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
but-3-ynoic acid;hydrate
CID 141468447
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-(4-ethynylanilino)acetic acid
CID 165458363
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163

Frequently Asked Questions

What is the IUPAC name of 2-(ethynylamino)acetic acid?
The IUPAC name of 2-(ethynylamino)acetic acid (CID 91216343) is 2-(ethynylamino)acetic acid.
What is the SMILES notation for 2-(ethynylamino)acetic acid?
The canonical SMILES for 2-(ethynylamino)acetic acid is C#CNCC(=O)O.
What is the InChIKey of 2-(ethynylamino)acetic acid?
The InChIKey is ANXDEIFQHQXTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-2-5-3-4(6)7/h1,5H,3H2,(H,6,7).
What are the key properties of 2-(ethynylamino)acetic acid?
2-(ethynylamino)acetic acid has a molecular weight of 99.09 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethynylamino)acetic acid is sourced from PubChem (CID 91216343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).