methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate

C10H19NO4 — CID 141391128

IUPACmethyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILES[2H]CC(C)(C)OC(=O)NC(CC)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/i2D
InChIKeyRFNZPQBRSIZDHQ-VMNATFBRSA-N
MW218.27 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 141391128) has the molecular formula C10H19NO4 and a molecular weight of 218.27 g/mol. Its IUPAC name is methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID141391128
Molecular FormulaC10H19NO4
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Namemethyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILES[2H]CC(C)(C)OC(=O)NC(CC)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/i2D
InChIKeyRFNZPQBRSIZDHQ-VMNATFBRSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-deuterio-2-methylpropan-2-yl) N-(1-hydroxypropyl)carbamate
CID 141231064
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 86588879
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoate
CID 10977409
methyl 5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419541
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
methyl (2R)-3-[[(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]ditellanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10556298
trimethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1,1,3-tricarboxylate
CID 10806529
dimethyl (E)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]oct-4-enedioate
CID 10717511
tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate
CID 177029791
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoate
CID 10830617

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 141391128) is methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate is [2H]CC(C)(C)OC(=O)NC(CC)C(=O)OC.
What is the InChIKey of methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is RFNZPQBRSIZDHQ-VMNATFBRSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/i2D.
What are the key properties of methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 218.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 141391128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).