2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid

C10H18N2O4 — CID 103224685

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C10H18N2O4/c1-12(8(6-16-2)10(14)15)5-9(13)11-7-3-4-7/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyZZMABIJGMGBUTH-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.70
Rot. Bonds7

About 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid

2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid (PubChem CID 103224685) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid
PubChem CID103224685
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C10H18N2O4/c1-12(8(6-16-2)10(14)15)5-9(13)11-7-3-4-7/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyZZMABIJGMGBUTH-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic 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-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81086151
ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
CID 64661878
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
N-cyclopropyl-2-[methoxy(methyl)amino]acetamide
CID 131224480
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide
CID 95136390

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid (CID 103224685) is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid is COCC(C(=O)O)N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid?
The InChIKey is ZZMABIJGMGBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(8(6-16-2)10(14)15)5-9(13)11-7-3-4-7/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid?
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103224685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).