tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate

C15H29NO2 — CID 103960953

IUPACtert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
SMILESCCC1CCCCC1NCCC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-12-8-6-7-9-13(12)16-11-10-14(17)18-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyDNJJPLKRNDPQPI-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds5

About tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate

tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate (PubChem CID 103960953) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
PubChem CID103960953
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
SMILESCCC1CCCCC1NCCC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-5-12-8-6-7-9-13(12)16-11-10-14(17)18-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyDNJJPLKRNDPQPI-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
ethyl 4-[(2-ethylcyclohexyl)amino]butanoate
CID 64580465
N-cyclopropyl-3-[(2-ethylcyclohexyl)amino]propanamide
CID 62627749
tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
CID 113242209
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
CID 114119970
tert-butyl N-[1-cyclopropyl-2-[(2-ethylcyclohexyl)amino]ethyl]carbamate
CID 107244035
N-cyclopropyl-3-[(2-ethylcyclopentyl)amino]propanamide
CID 115714181
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate (CID 103960953) is tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate is CCC1CCCCC1NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate?
The InChIKey is DNJJPLKRNDPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-12-8-6-7-9-13(12)16-11-10-14(17)18-15(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate?
tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate is sourced from PubChem (CID 103960953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).