azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate

C13H22N2O4 — CID 174615049

IUPACazane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
SMILESCOC(=O)C(C)(C)Cc1ccccc1.N.NC(=O)O
InChIInChI=1S/C12H16O2.CH3NO2.H3N/c1-12(2,11(13)14-3)9-10-7-5-4-6-8-10;2-1(3)4;/h4-8H,9H2,1-3H3;2H2,(H,3,4);1H3
InChIKeyXGDORKIENIYGAP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.21
Rot. Bonds3

About azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate

azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate (PubChem CID 174615049) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate.

Molecular Properties

Compound Nameazane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
PubChem CID174615049
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameazane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
SMILESCOC(=O)C(C)(C)Cc1ccccc1.N.NC(=O)O
InChIInChI=1S/C12H16O2.CH3NO2.H3N/c1-12(2,11(13)14-3)9-10-7-5-4-6-8-10;2-1(3)4;/h4-8H,9H2,1-3H3;2H2,(H,3,4);1H3
InChIKeyXGDORKIENIYGAP-UHFFFAOYSA-N
XLogP2.21
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate 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 (2S)-3-amino-2-benzyl-2-methyl-3-oxopropanoate
CID 10933012
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 67520417
trimethylsilyl 2,2-dimethyl-3-phenylpropanoate
CID 102019506
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672
benzyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate
CID 165018733
methyl 3-[4-(2-bromoethyl)phenyl]-2,2-dimethylpropanoate
CID 19957512
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486

Frequently Asked Questions

What is the IUPAC name of azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate?
The IUPAC name of azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate (CID 174615049) is azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate.
What is the SMILES notation for azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate?
The canonical SMILES for azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate is COC(=O)C(C)(C)Cc1ccccc1.N.NC(=O)O.
What is the InChIKey of azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate?
The InChIKey is XGDORKIENIYGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.CH3NO2.H3N/c1-12(2,11(13)14-3)9-10-7-5-4-6-8-10;2-1(3)4;/h4-8H,9H2,1-3H3;2H2,(H,3,4);1H3.
What are the key properties of azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate?
azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate has a molecular weight of 270.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate is sourced from PubChem (CID 174615049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).