2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid

C8H14N2O5 — CID 115731225

IUPAC2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid
SMILESCOC(=O)N(C)CC(=O)NC(C)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(7(12)13)9-6(11)4-10(2)8(14)15-3/h5H,4H2,1-3H3,(H,9,11)(H,12,13)
InChIKeyUQAFXLVWAGKFHC-UHFFFAOYSA-N
MW218.21 g/mol
LogP-0.73
Rot. Bonds4

About 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid

2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid (PubChem CID 115731225) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid
PubChem CID115731225
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid
SMILESCOC(=O)N(C)CC(=O)NC(C)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(7(12)13)9-6(11)4-10(2)8(14)15-3/h5H,4H2,1-3H3,(H,9,11)(H,12,13)
InChIKeyUQAFXLVWAGKFHC-UHFFFAOYSA-N
XLogP-0.73
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]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

(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
methyl (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]propanoate
CID 56817538
2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]propanoic acid
CID 119348539
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
(2S)-2-(3-oxobutanoylamino)propanoic acid
CID 40571624
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
4-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]butanoic acid
CID 115640990
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 78972686
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
CID 102470041
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid (CID 115731225) is 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid is COC(=O)N(C)CC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid?
The InChIKey is UQAFXLVWAGKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-5(7(12)13)9-6(11)4-10(2)8(14)15-3/h5H,4H2,1-3H3,(H,9,11)(H,12,13).
What are the key properties of 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid?
2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid has a molecular weight of 218.21 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 115731225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).