2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid

C7H10N2O3 — CID 79275320

IUPAC2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)CN
InChIInChI=1S/C7H10N2O3/c1-2-3-9(5-7(11)12)6(10)4-8/h1H,3-5,8H2,(H,11,12)
InChIKeyJMUHFZGPWNTAKB-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.51
Rot. Bonds4

About 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid

2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid (PubChem CID 79275320) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid
PubChem CID79275320
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)CN
InChIInChI=1S/C7H10N2O3/c1-2-3-9(5-7(11)12)6(10)4-8/h1H,3-5,8H2,(H,11,12)
InChIKeyJMUHFZGPWNTAKB-UHFFFAOYSA-N
XLogP-1.51
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.51
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-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid
CID 103156185
2-[(2-propan-2-ylsulfanylacetyl)-prop-2-ynylamino]acetic acid
CID 79273312
2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79278098
2-[(6-amino-4-ethylhexanoyl)-prop-2-ynylamino]acetic acid
CID 79272924
2-[[2-(2-hydroxyphenyl)acetyl]-prop-2-ynylamino]acetic acid
CID 80741246
2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79273450
2-[3-(4-aminophenyl)propanoyl-prop-2-ynylamino]acetic acid
CID 115341560
2-[(2-amino-2-phenylacetyl)-prop-2-ynylamino]acetic acid
CID 79273974
2-[2-(aminomethyl)pentanoyl-prop-2-ynylamino]acetic acid
CID 79274102
2-[[4-(aminomethyl)benzoyl]-prop-2-ynylamino]acetic acid
CID 79273984
2-[bis(2-aminoacetyl)amino]acetic acid
CID 23617061

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid (CID 79275320) is 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid?
The InChIKey is JMUHFZGPWNTAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-3-9(5-7(11)12)6(10)4-8/h1H,3-5,8H2,(H,11,12).
What are the key properties of 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid?
2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid has a molecular weight of 170.17 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79275320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).