2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C14H27NO4 — CID 175260689

IUPAC2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILES[2H]CC([2H])(NC(=O)OC(C)(C)C)C(=O)OCC(CC)CC
InChIInChI=1S/C14H27NO4/c1-7-11(8-2)9-18-12(16)10(3)15-13(17)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)/i3D,10D
InChIKeyJAFQWSRPCKDIIZ-OBWAHYFCSA-N
MW275.39 g/mol
LogP2.88
Rot. Bonds7

About 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 175260689) has the molecular formula C14H27NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID175260689
Molecular FormulaC14H27NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILES[2H]CC([2H])(NC(=O)OC(C)(C)C)C(=O)OCC(CC)CC
InChIInChI=1S/C14H27NO4/c1-7-11(8-2)9-18-12(16)10(3)15-13(17)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)/i3D,10D
InChIKeyJAFQWSRPCKDIIZ-OBWAHYFCSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

(2S)-2,3,3,3-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino](1,2,3-13C3)propanoic acid
CID 117064409
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
CID 102729760
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
(1-deuterio-2-methylpropan-2-yl) N-(1-hydroxypropyl)carbamate
CID 141231064
tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
CID 50945788
methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391128
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 175260689) is 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is [2H]CC([2H])(NC(=O)OC(C)(C)C)C(=O)OCC(CC)CC.
What is the InChIKey of 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is JAFQWSRPCKDIIZ-OBWAHYFCSA-N. The full InChI is InChI=1S/C14H27NO4/c1-7-11(8-2)9-18-12(16)10(3)15-13(17)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)/i3D,10D.
What are the key properties of 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 275.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 2,3-dideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 175260689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).