2,2-dimethylpropoxycarbonylcarbamic acid

C7H13NO4 — CID 141398884

IUPAC2,2-dimethylpropoxycarbonylcarbamic acid
SMILESCC(C)(C)COC(=O)NC(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2,3)4-12-6(11)8-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeySLHOGULIICSTSI-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.44
Rot. Bonds1

About 2,2-dimethylpropoxycarbonylcarbamic acid

2,2-dimethylpropoxycarbonylcarbamic acid (PubChem CID 141398884) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2,2-dimethylpropoxycarbonylcarbamic acid.

Molecular Properties

Compound Name2,2-dimethylpropoxycarbonylcarbamic acid
PubChem CID141398884
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2,2-dimethylpropoxycarbonylcarbamic acid
SMILESCC(C)(C)COC(=O)NC(=O)O
InChIInChI=1S/C7H13NO4/c1-7(2,3)4-12-6(11)8-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeySLHOGULIICSTSI-UHFFFAOYSA-N
XLogP1.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
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CID 71672217
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
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2,2-dimethylpropyl acetate
CID 13552
2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 153493812
2,2-dimethylpropyl 2,2-dichloropropanoate
CID 90264258
2,2-dimethylpropyl N-[1-[[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 139295027
2,2-dimethylpropyl carboniodidate
CID 71320370
2-trimethylsilylethoxycarbonylcarbamic acid
CID 88923285
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
dodecoxycarbonylcarbamic acid
CID 19778443

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropoxycarbonylcarbamic acid?
The IUPAC name of 2,2-dimethylpropoxycarbonylcarbamic acid (CID 141398884) is 2,2-dimethylpropoxycarbonylcarbamic acid.
What is the SMILES notation for 2,2-dimethylpropoxycarbonylcarbamic acid?
The canonical SMILES for 2,2-dimethylpropoxycarbonylcarbamic acid is CC(C)(C)COC(=O)NC(=O)O.
What is the InChIKey of 2,2-dimethylpropoxycarbonylcarbamic acid?
The InChIKey is SLHOGULIICSTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-7(2,3)4-12-6(11)8-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10).
What are the key properties of 2,2-dimethylpropoxycarbonylcarbamic acid?
2,2-dimethylpropoxycarbonylcarbamic acid has a molecular weight of 175.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxycarbonylcarbamic acid is sourced from PubChem (CID 141398884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).