carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate

C11H23NO4 — CID 175568582

IUPACcarbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)COC(=O)C(C)(C)C.NC(=O)O
InChIInChI=1S/C10H20O2.CH3NO2/c1-9(2,3)7-12-8(11)10(4,5)6;2-1(3)4/h7H2,1-6H3;2H2,(H,3,4)
InChIKeyWOUGAYMFQATNSG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds1

About carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate

carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate (PubChem CID 175568582) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namecarbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
PubChem CID175568582
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namecarbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)COC(=O)C(C)(C)C.NC(=O)O
InChIInChI=1S/C10H20O2.CH3NO2/c1-9(2,3)7-12-8(11)10(4,5)6;2-1(3)4/h7H2,1-6H3;2H2,(H,3,4)
InChIKeyWOUGAYMFQATNSG-UHFFFAOYSA-N
XLogP2.24
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
2,2-dimethylpropyl 2,2-dichloropropanoate
CID 90264258
2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 153493812
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
(3-chloro-2,2-dimethyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 123416365
2,2-dimethylpropyl acetate
CID 13552
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
[2,2-dimethylpropanoyloxymethoxy(2,2-dimethylpropoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 139390399
2,2-dimethylpropyl carboniodidate
CID 71320370
diethyl 2-(2,2-dimethylpropanoyloxymethyl)-2-ethylpropanedioate
CID 88990098

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
The IUPAC name of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate (CID 175568582) is carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate.
What is the SMILES notation for carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
The canonical SMILES for carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate is CC(C)(C)COC(=O)C(C)(C)C.NC(=O)O.
What is the InChIKey of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
The InChIKey is WOUGAYMFQATNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.CH3NO2/c1-9(2,3)7-12-8(11)10(4,5)6;2-1(3)4/h7H2,1-6H3;2H2,(H,3,4).
What are the key properties of carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate?
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate is sourced from PubChem (CID 175568582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).