2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid

C10H14N2O4 — CID 79278098

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)CN(C)C(C)=O
InChIInChI=1S/C10H14N2O4/c1-4-5-12(7-10(15)16)9(14)6-11(3)8(2)13/h1H,5-7H2,2-3H3,(H,15,16)
InChIKeyJYHIZXOZMRXHNH-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.99
Rot. Bonds5

About 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid

2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid (PubChem CID 79278098) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
PubChem CID79278098
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)CN(C)C(C)=O
InChIInChI=1S/C10H14N2O4/c1-4-5-12(7-10(15)16)9(14)6-11(3)8(2)13/h1H,5-7H2,2-3H3,(H,15,16)
InChIKeyJYHIZXOZMRXHNH-UHFFFAOYSA-N
XLogP-0.99
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid
CID 79275320
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258213
2-[(2-propan-2-ylsulfanylacetyl)-prop-2-ynylamino]acetic acid
CID 79273312
2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79273450
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
2-[2-(dimethylamino)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284807
2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid
CID 103156185
2-[[methyl(pentan-3-yl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283739
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274369
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid (CID 79278098) is 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)CN(C)C(C)=O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid?
The InChIKey is JYHIZXOZMRXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-5-12(7-10(15)16)9(14)6-11(3)8(2)13/h1H,5-7H2,2-3H3,(H,15,16).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid?
2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79278098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).