aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate

C7H12N2O2 — CID 156724598

IUPACaminomethyl 2-[methyl(prop-2-ynyl)amino]acetate
SMILESC#CCN(C)CC(=O)OCN
InChIInChI=1S/C7H12N2O2/c1-3-4-9(2)5-7(10)11-6-8/h1H,4-6,8H2,2H3
InChIKeyFJAZRVDBMHJJOP-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.99
Rot. Bonds4

About aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate

aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate (PubChem CID 156724598) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate.

Molecular Properties

Compound Nameaminomethyl 2-[methyl(prop-2-ynyl)amino]acetate
PubChem CID156724598
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Nameaminomethyl 2-[methyl(prop-2-ynyl)amino]acetate
SMILESC#CCN(C)CC(=O)OCN
InChIInChI=1S/C7H12N2O2/c1-3-4-9(2)5-7(10)11-6-8/h1H,4-6,8H2,2H3
InChIKeyFJAZRVDBMHJJOP-UHFFFAOYSA-N
XLogP-0.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate 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

N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
3-[methyl(prop-2-ynyl)amino]propanamide
CID 131086259
ethyl 2-[but-2-ynyl(methyl)amino]acetate
CID 62309803
N-(2-methoxyethyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60691530
methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
CID 60673152
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
2-[methyl(pent-4-ynyl)amino]acetamide
CID 115872776
2-[[2-(carboxymethoxy)-2-oxoethyl]-methylamino]acetic acid
CID 10307945
(2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane
CID 145095517
ethyl 2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-methylamino]acetate
CID 62012371
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
CID 124623956

Frequently Asked Questions

What is the IUPAC name of aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate?
The IUPAC name of aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate (CID 156724598) is aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate.
What is the SMILES notation for aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate?
The canonical SMILES for aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate is C#CCN(C)CC(=O)OCN.
What is the InChIKey of aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate?
The InChIKey is FJAZRVDBMHJJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-9(2)5-7(10)11-6-8/h1H,4-6,8H2,2H3.
What are the key properties of aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate?
aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate has a molecular weight of 156.19 g/mol, XLogP of -0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate is sourced from PubChem (CID 156724598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).