2-(prop-2-ynylamino)acetic acid

C10H14N2O4 — CID 88693817

IUPAC2-(prop-2-ynylamino)acetic acid
SMILESC#CCNCC(=O)O.C#CCNCC(=O)O
InChIInChI=1S/2C5H7NO2/c2*1-2-3-6-4-5(7)8/h2*1,6H,3-4H2,(H,7,8)
InChIKeyBYEXRAZQBZOBPW-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.41
Rot. Bonds6

About 2-(prop-2-ynylamino)acetic acid

2-(prop-2-ynylamino)acetic acid (PubChem CID 88693817) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)acetic acid.

Molecular Properties

Compound Name2-(prop-2-ynylamino)acetic acid
PubChem CID88693817
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(prop-2-ynylamino)acetic acid
SMILESC#CCNCC(=O)O.C#CCNCC(=O)O
InChIInChI=1S/2C5H7NO2/c2*1-2-3-6-4-5(7)8/h2*1,6H,3-4H2,(H,7,8)
InChIKeyBYEXRAZQBZOBPW-UHFFFAOYSA-N
XLogP-1.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-2-ynylamino)acetic acid;hydrochloride
CID 88630833
1-(prop-2-ynylamino)pent-4-yn-2-one
CID 116589319
3,3-dimethyl-1-(prop-2-ynylamino)butan-2-one
CID 116589515
2-(carboxymethylamino)acetic acid
CID 8897
3-ethyl-1-(prop-2-ynylamino)pentan-2-one
CID 116589606
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid
CID 79272358
1-(prop-2-ynylamino)pent-4-en-2-one
CID 116589332
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
1-(prop-2-ynylamino)hex-4-yn-2-one
CID 116589377
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)acetic acid?
The IUPAC name of 2-(prop-2-ynylamino)acetic acid (CID 88693817) is 2-(prop-2-ynylamino)acetic acid.
What is the SMILES notation for 2-(prop-2-ynylamino)acetic acid?
The canonical SMILES for 2-(prop-2-ynylamino)acetic acid is C#CCNCC(=O)O.C#CCNCC(=O)O.
What is the InChIKey of 2-(prop-2-ynylamino)acetic acid?
The InChIKey is BYEXRAZQBZOBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO2/c2*1-2-3-6-4-5(7)8/h2*1,6H,3-4H2,(H,7,8).
What are the key properties of 2-(prop-2-ynylamino)acetic acid?
2-(prop-2-ynylamino)acetic acid has a molecular weight of 226.23 g/mol, XLogP of -1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)acetic acid is sourced from PubChem (CID 88693817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).