tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate

C15H29NO3 — CID 66339424

IUPACtert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(CCO)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-12(14(18)19-15(2,3)4)16(10-11-17)13-8-6-5-7-9-13/h12-13,17H,5-11H2,1-4H3
InChIKeyFPRKMSQTHVXTQK-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.34
Rot. Bonds5

About tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate

tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate (PubChem CID 66339424) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
PubChem CID66339424
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(CCO)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-12(14(18)19-15(2,3)4)16(10-11-17)13-8-6-5-7-9-13/h12-13,17H,5-11H2,1-4H3
InChIKeyFPRKMSQTHVXTQK-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[cyclopentyl(2-hydroxyethyl)amino]propanoate
CID 66339425
tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate
CID 64689159
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
tert-butyl (2S)-2-[cyclohexyl(prop-2-enoyl)amino]propanoate
CID 70370984
(2S)-2-[cyclohexyl-[1-deuterio-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 139924342
2-[cyclobutyl(3-hydroxypropyl)amino]propanamide
CID 102858549
4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
CID 64696261
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate (CID 66339424) is tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate is CC(C(=O)OC(C)(C)C)N(CCO)C1CCCCC1.
What is the InChIKey of tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate?
The InChIKey is FPRKMSQTHVXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(14(18)19-15(2,3)4)16(10-11-17)13-8-6-5-7-9-13/h12-13,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate?
tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate has a molecular weight of 271.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate is sourced from PubChem (CID 66339424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).