methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate

C15H28N2O2 — CID 107401182

IUPACmethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
SMILESCCN(CCC(NC1CC1)C(=O)OC)CC1CCC1
InChIInChI=1S/C15H28N2O2/c1-3-17(11-12-5-4-6-12)10-9-14(15(18)19-2)16-13-7-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyTYFROWFBQPZPAF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds9

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

methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate (PubChem CID 107401182) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
PubChem CID107401182
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
SMILESCCN(CCC(NC1CC1)C(=O)OC)CC1CCC1
InChIInChI=1S/C15H28N2O2/c1-3-17(11-12-5-4-6-12)10-9-14(15(18)19-2)16-13-7-8-13/h12-14,16H,3-11H2,1-2H3
InChIKeyTYFROWFBQPZPAF-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 63055508
methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate
CID 63956082
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
CID 63055370
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
CID 107401021

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate?
The IUPAC name of methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate (CID 107401182) is methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate.
What is the SMILES notation for methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate?
The canonical SMILES for methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate is CCN(CCC(NC1CC1)C(=O)OC)CC1CCC1.
What is the InChIKey of methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate?
The InChIKey is TYFROWFBQPZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-17(11-12-5-4-6-12)10-9-14(15(18)19-2)16-13-7-8-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate?
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate is sourced from PubChem (CID 107401182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).