2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid

C12H22N2O2 — CID 63910926

IUPAC2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
SMILESCNC(CN(C)CC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-13-12(11(15)16,10-5-6-10)8-14(2)7-9-3-4-9/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyYAYHGPOIAXIHPK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.78
Rot. Bonds7

About 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid

2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid (PubChem CID 63910926) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
PubChem CID63910926
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
SMILESCNC(CN(C)CC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-13-12(11(15)16,10-5-6-10)8-14(2)7-9-3-4-9/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyYAYHGPOIAXIHPK-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)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

2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63910337
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63916273
2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79314867
2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
CID 63907041
methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63927659
2-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-(methylamino)propanoic acid
CID 63910335
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743553
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanamide
CID 63925000
2-cyclopropyl-3-(N,2-dimethylanilino)-2-(methylamino)propanoic acid
CID 63919631
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63906996
2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 63919450
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 62861208

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid (CID 63910926) is 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid is CNC(CN(C)CC1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid?
The InChIKey is YAYHGPOIAXIHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-12(11(15)16,10-5-6-10)8-14(2)7-9-3-4-9/h9-10,13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid?
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid has a molecular weight of 226.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid is sourced from PubChem (CID 63910926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).