(2-methylpropan-2-yl)oxycarbonylcarbamic acid

C6H11NO4 — CID 15431621

IUPAC(2-methylpropan-2-yl)oxycarbonylcarbamic acid
SMILESCC(C)(C)OC(=O)NC(=O)O
InChIInChI=1S/C6H11NO4/c1-6(2,3)11-5(10)7-4(8)9/h1-3H3,(H,7,10)(H,8,9)
InChIKeyWWUQRUIBJJBKLS-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.19
Rot. Bonds

About (2-methylpropan-2-yl)oxycarbonylcarbamic acid

(2-methylpropan-2-yl)oxycarbonylcarbamic acid (PubChem CID 15431621) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonylcarbamic acid.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonylcarbamic acid
PubChem CID15431621
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2-methylpropan-2-yl)oxycarbonylcarbamic acid
SMILESCC(C)(C)OC(=O)NC(=O)O
InChIInChI=1S/C6H11NO4/c1-6(2,3)11-5(10)7-4(8)9/h1-3H3,(H,7,10)(H,8,9)
InChIKeyWWUQRUIBJJBKLS-UHFFFAOYSA-N
XLogP1.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid
CID 173143788
tert-butyl N-ethanethioylcarbamate
CID 20745944
tert-butyl N-ethoxycarbothioylcarbamate
CID 130015339
tert-butyl N-[(1E)-1-hydroxybuta-1,3-dienyl]carbamate
CID 154986813
tert-butyl N-prop-2-enoylcarbamate
CID 14817908
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
potassium;bis[(2-methylpropan-2-yl)oxycarbonyl]azanide;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 162072949
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoic acid
CID 18631504
tert-butyl N-bromocarbamate
CID 19029934
tert-butyl N-methylcarbamate;ethane
CID 142957488
[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]azanium
CID 172808399

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonylcarbamic acid?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonylcarbamic acid (CID 15431621) is (2-methylpropan-2-yl)oxycarbonylcarbamic acid.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonylcarbamic acid?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonylcarbamic acid is CC(C)(C)OC(=O)NC(=O)O.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonylcarbamic acid?
The InChIKey is WWUQRUIBJJBKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-6(2,3)11-5(10)7-4(8)9/h1-3H3,(H,7,10)(H,8,9).
What are the key properties of (2-methylpropan-2-yl)oxycarbonylcarbamic acid?
(2-methylpropan-2-yl)oxycarbonylcarbamic acid has a molecular weight of 161.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonylcarbamic acid is sourced from PubChem (CID 15431621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).