[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid

C8H15NO4 — CID 140986118

IUPAC[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-5(9-7(11)12)6(10)13-8(2,3)4/h5,9H,1-4H3,(H,11,12)
InChIKeyLKVKUKSQZQUBTJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.98
Rot. Bonds2

About [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid

[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid (PubChem CID 140986118) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
PubChem CID140986118
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-5(9-7(11)12)6(10)13-8(2,3)4/h5,9H,1-4H3,(H,11,12)
InChIKeyLKVKUKSQZQUBTJ-UHFFFAOYSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
tert-butyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
2-sulfanylpropan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 141480656
tert-butyl (2S)-2-[[(2S)-2-[[(2S,3S)-2,3-diamino-4-[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoate
CID 155444698
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
CID 103310505
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid (CID 140986118) is [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is LKVKUKSQZQUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(9-7(11)12)6(10)13-8(2,3)4/h5,9H,1-4H3,(H,11,12).
What are the key properties of [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid?
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 189.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 140986118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).