2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid

C7H14N2O3 — CID 43216485

IUPAC2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
SMILESCNC(=O)CN(C)C(C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(7(11)12)9(3)4-6(10)8-2/h5H,4H2,1-3H3,(H,8,10)(H,11,12)
InChIKeyRYEFNVXFKCRLPK-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.86
Rot. Bonds4

About 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid

2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 43216485) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID43216485
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
SMILESCNC(=O)CN(C)C(C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(7(11)12)9(3)4-6(10)8-2/h5H,4H2,1-3H3,(H,8,10)(H,11,12)
InChIKeyRYEFNVXFKCRLPK-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic 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

N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
2-[methyl(2-oxopropyl)amino]propanoic acid
CID 59576342
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
CID 55097076
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
N-(ethylcarbamoyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 78825733
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43442200
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375
2-[methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]propanoic acid;hydrochloride
CID 119912479
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid (CID 43216485) is 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid is CNC(=O)CN(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is RYEFNVXFKCRLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(7(11)12)9(3)4-6(10)8-2/h5H,4H2,1-3H3,(H,8,10)(H,11,12).
What are the key properties of 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).