ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C13H25NO5 — CID 91296592

IUPACethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-6-18-11(16)7-8-14(9-10(2)15)12(17)19-13(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeyBIPTVZJUOYPFQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.56
Rot. Bonds6

About ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 91296592) has the molecular formula C13H25NO5 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID91296592
Molecular FormulaC13H25NO5
Molecular Weight275.35 g/mol
Exact Mass275.17
IUPAC Nameethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCCOC(=O)CCN(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-6-18-11(16)7-8-14(9-10(2)15)12(17)19-13(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeyBIPTVZJUOYPFQM-UHFFFAOYSA-N
XLogP1.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]propanoate
CID 130281670
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185
tert-butyl N-(cyanomethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184665
tert-butyl N-(2-aminopropyl)-N-(4-hydroxypentyl)carbamate
CID 87126598
tert-butyl N-(2-aminopropyl)-N-[(4S)-4-hydroxypentyl]carbamate
CID 87126597
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
ethyl 3-[[(2R)-1-azidopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86638107
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 91296592) is ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CCOC(=O)CCN(CC(C)O)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is BIPTVZJUOYPFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-6-18-11(16)7-8-14(9-10(2)15)12(17)19-13(3,4)5/h10,15H,6-9H2,1-5H3.
What are the key properties of ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 275.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 91296592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).