methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate

C9H17NO4 — CID 130024154

IUPACmethyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)C1COC(C)(C)O1
InChIInChI=1S/C9H17NO4/c1-6(10-8(11)12-4)7-5-13-9(2,3)14-7/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyNXQHNRCFCOUXPN-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.88
Rot. Bonds2

About methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate

methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate (PubChem CID 130024154) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
PubChem CID130024154
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)C1COC(C)(C)O1
InChIInChI=1S/C9H17NO4/c1-6(10-8(11)12-4)7-5-13-9(2,3)14-7/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyNXQHNRCFCOUXPN-UHFFFAOYSA-N
XLogP0.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate 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

methyl N-[3-[[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamoylamino]phenyl]carbamate
CID 138018560
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
methyl (2S,3R)-2-chloro-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 158040346
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101265838
methyl (4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-ynoate
CID 11264309
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
CID 12641503
[2-acetyloxy-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl] acetate
CID 538771
methyl (4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11438503
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylsulfanylethyl]carbamic acid
CID 68893918
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 102153922

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The IUPAC name of methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate (CID 130024154) is methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate is COC(=O)NC(C)C1COC(C)(C)O1.
What is the InChIKey of methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
The InChIKey is NXQHNRCFCOUXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(10-8(11)12-4)7-5-13-9(2,3)14-7/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate?
methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate has a molecular weight of 203.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate is sourced from PubChem (CID 130024154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).