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

C10H18KNO4 — CID 23672899

IUPACpotassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)[O-].[K+]
InChIInChI=1S/C10H19NO4.K/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5;/h6-7H,1-5H3,(H,11,14)(H,12,13);/q;+1/p-1
InChIKeyKJVBRINZUZGGLV-UHFFFAOYSA-M
MW255.35 g/mol
LogP-2.71
Rot. Bonds3

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

potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 23672899) has the molecular formula C10H18KNO4 and a molecular weight of 255.35 g/mol. Its IUPAC name is potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namepotassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID23672899
Molecular FormulaC10H18KNO4
Molecular Weight255.35 g/mol
Exact Mass255.09
IUPAC Namepotassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)[O-].[K+]
InChIInChI=1S/C10H19NO4.K/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5;/h6-7H,1-5H3,(H,11,14)(H,12,13);/q;+1/p-1
InChIKeyKJVBRINZUZGGLV-UHFFFAOYSA-M
XLogP-2.71
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cesium 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87920058
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 74082031
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 5191446
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 71435357
sodium (2S)-3-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]amino]butanoate
CID 70084946
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propan-2-ylpentanoic acid
CID 154733829
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]carbamate
CID 10870883
chloromethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 18629485
methyl 5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxohexanoate
CID 72761181

Frequently Asked Questions

What is the IUPAC name of potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 23672899) is potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)[O-].[K+].
What is the InChIKey of potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is KJVBRINZUZGGLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO4.K/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5;/h6-7H,1-5H3,(H,11,14)(H,12,13);/q;+1/p-1.
What are the key properties of potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 255.35 g/mol, XLogP of -2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 23672899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).