ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate

C17H32N2O2 — CID 107401126

IUPACethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CCN(CC)CC1CCC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-4-19(13-14-7-6-8-14)12-11-17(3,16(20)21-5-2)18-15-9-10-15/h14-15,18H,4-13H2,1-3H3
InChIKeyYUWSYEASHFLZFW-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds10

About ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate

ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate (PubChem CID 107401126) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
PubChem CID107401126
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CCN(CC)CC1CCC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-4-19(13-14-7-6-8-14)12-11-17(3,16(20)21-5-2)18-15-9-10-15/h14-15,18H,4-13H2,1-3H3
InChIKeyYUWSYEASHFLZFW-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 107401191
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259
methyl 2-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]-2-methylpropanoate
CID 63956092
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate?
The IUPAC name of ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate (CID 107401126) is ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate.
What is the SMILES notation for ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate?
The canonical SMILES for ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate is CCOC(=O)C(C)(CCN(CC)CC1CCC1)NC1CC1.
What is the InChIKey of ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate?
The InChIKey is YUWSYEASHFLZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-19(13-14-7-6-8-14)12-11-17(3,16(20)21-5-2)18-15-9-10-15/h14-15,18H,4-13H2,1-3H3.
What are the key properties of ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate?
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate is sourced from PubChem (CID 107401126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).