2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C10H18NO4- — CID 71435357

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(NC(=O)OC(C)(C)C)C(C)C(=O)[O-]
InChIInChI=1S/C10H19NO4/c1-6(8(12)13)7(2)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/p-1
InChIKeyVZHAMECIWIQGRU-UHFFFAOYSA-M
MW216.26 g/mol
LogP0.29
Rot. Bonds3

About 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 71435357) has the molecular formula C10H18NO4- and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID71435357
Molecular FormulaC10H18NO4-
Molecular Weight216.26 g/mol
Exact Mass216.12
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(NC(=O)OC(C)(C)C)C(C)C(=O)[O-]
InChIInChI=1S/C10H19NO4/c1-6(8(12)13)7(2)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/p-1
InChIKeyVZHAMECIWIQGRU-UHFFFAOYSA-M
XLogP0.29
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 162520562
tert-butyl N-[(2S,3S)-4-amino-3-methyl-4-oxobutan-2-yl]carbamate
CID 130935417
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-(5-bromo-3-methyl-4-oxopentan-2-yl)carbamate
CID 104701941
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23672899
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 6992568
cesium 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87920058
(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 86308273
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 71435357) is 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CC(NC(=O)OC(C)(C)C)C(C)C(=O)[O-].
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is VZHAMECIWIQGRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO4/c1-6(8(12)13)7(2)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/p-1.
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 216.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 71435357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).