ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate

C14H28N2O2 — CID 55143357

IUPACethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
SMILESCCCN(CCC(NC)C(=O)OCC)CC1CC1
InChIInChI=1S/C14H28N2O2/c1-4-9-16(11-12-6-7-12)10-8-13(15-3)14(17)18-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyBEKCVEXYIWLULW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds10

About ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate

ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate (PubChem CID 55143357) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
PubChem CID55143357
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
SMILESCCCN(CCC(NC)C(=O)OCC)CC1CC1
InChIInChI=1S/C14H28N2O2/c1-4-9-16(11-12-6-7-12)10-8-13(15-3)14(17)18-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyBEKCVEXYIWLULW-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
CID 107401021
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanehydrazide
CID 63584517
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
CID 81079900
methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate
CID 63956082
ethyl 2-[cyclohexylmethyl(propyl)amino]acetate
CID 61238525
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate
CID 55142810

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate (CID 55143357) is ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate is CCCN(CCC(NC)C(=O)OCC)CC1CC1.
What is the InChIKey of ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate?
The InChIKey is BEKCVEXYIWLULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-9-16(11-12-6-7-12)10-8-13(15-3)14(17)18-5-2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate?
ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate is sourced from PubChem (CID 55143357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).