ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate

C13H25NO6 — CID 175475668

IUPACethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate
SMILESCCOC(=O)[C@@H](O)COCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO6/c1-5-19-11(16)10(15)9-18-8-6-7-14-12(17)20-13(2,3)4/h10,15H,5-9H2,1-4H3,(H,14,17)/t10-/m0/s1
InChIKeyOLANEMMTQIAKLD-JTQLQIEISA-N
MW291.34 g/mol
LogP0.84
Rot. Bonds8

About ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate

ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate (PubChem CID 175475668) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate
PubChem CID175475668
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Nameethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate
SMILESCCOC(=O)[C@@H](O)COCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO6/c1-5-19-11(16)10(15)9-18-8-6-7-14-12(17)20-13(2,3)4/h10,15H,5-9H2,1-4H3,(H,14,17)/t10-/m0/s1
InChIKeyOLANEMMTQIAKLD-JTQLQIEISA-N
XLogP0.84
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(propan-2-ylamino)pentanoate
CID 140629551
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
ethyl 2-(2,3-diethoxy-3-oxopropoxy)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 54477505
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
tert-butyl N-[2-[2-[2-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159536089
tert-butyl N-nonylcarbamate;ethane
CID 168941348

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate?
The IUPAC name of ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate (CID 175475668) is ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate.
What is the SMILES notation for ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate?
The canonical SMILES for ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate is CCOC(=O)[C@@H](O)COCCCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate?
The InChIKey is OLANEMMTQIAKLD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO6/c1-5-19-11(16)10(15)9-18-8-6-7-14-12(17)20-13(2,3)4/h10,15H,5-9H2,1-4H3,(H,14,17)/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate?
ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate has a molecular weight of 291.34 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoate is sourced from PubChem (CID 175475668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).