methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate

C14H28N2O3 — CID 63910940

IUPACmethyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
SMILESCCN(CC(NC)(C(=O)OC)C1CC1)C(C)COC
InChIInChI=1S/C14H28N2O3/c1-6-16(11(2)9-18-4)10-14(15-3,12-7-8-12)13(17)19-5/h11-12,15H,6-10H2,1-5H3
InChIKeyXWXILHQEQGWFEG-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.88
Rot. Bonds9

About methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate (PubChem CID 63910940) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
PubChem CID63910940
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
SMILESCCN(CC(NC)(C(=O)OC)C1CC1)C(C)COC
InChIInChI=1S/C14H28N2O3/c1-6-16(11(2)9-18-4)10-14(15-3,12-7-8-12)13(17)19-5/h11-12,15H,6-10H2,1-5H3
InChIKeyXWXILHQEQGWFEG-UHFFFAOYSA-N
XLogP0.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate 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

methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
ethyl 2-cyclopropyl-2-(ethylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 63910545
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
1-amino-2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 64820006
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
CID 63910948
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate
CID 63909759
methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63908711
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
CID 63910696

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate (CID 63910940) is methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate is CCN(CC(NC)(C(=O)OC)C1CC1)C(C)COC.
What is the InChIKey of methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate?
The InChIKey is XWXILHQEQGWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-16(11(2)9-18-4)10-14(15-3,12-7-8-12)13(17)19-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate has a molecular weight of 272.39 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate is sourced from PubChem (CID 63910940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).