ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate

C17H30N2O2 — CID 63927639

IUPACethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(CN(C)CC1CCC1)(NC1CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-3-21-16(20)17(14-7-8-14,18-15-9-10-15)12-19(2)11-13-5-4-6-13/h13-15,18H,3-12H2,1-2H3
InChIKeyBJVJNWHHYXAFAN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.18
Rot. Bonds9

About ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate

ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate (PubChem CID 63927639) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
PubChem CID63927639
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(CN(C)CC1CCC1)(NC1CC1)C1CC1
InChIInChI=1S/C17H30N2O2/c1-3-21-16(20)17(14-7-8-14,18-15-9-10-15)12-19(2)11-13-5-4-6-13/h13-15,18H,3-12H2,1-2H3
InChIKeyBJVJNWHHYXAFAN-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanamide
CID 63925000
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63916273
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 63919318

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The IUPAC name of ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate (CID 63927639) is ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate.
What is the SMILES notation for ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The canonical SMILES for ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate is CCOC(=O)C(CN(C)CC1CCC1)(NC1CC1)C1CC1.
What is the InChIKey of ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The InChIKey is BJVJNWHHYXAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-21-16(20)17(14-7-8-14,18-15-9-10-15)12-19(2)11-13-5-4-6-13/h13-15,18H,3-12H2,1-2H3.
What are the key properties of ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate?
ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate has a molecular weight of 294.44 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate is sourced from PubChem (CID 63927639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).