propan-2-yl 2-cyanomorpholine-4-carboxylate

C9H14N2O3 — CID 79674867

IUPACpropan-2-yl 2-cyanomorpholine-4-carboxylate
SMILESCC(C)OC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H14N2O3/c1-7(2)14-9(12)11-3-4-13-8(5-10)6-11/h7-8H,3-4,6H2,1-2H3
InChIKeyKGQKQXCHGYRCHI-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.76
Rot. Bonds1

About propan-2-yl 2-cyanomorpholine-4-carboxylate

propan-2-yl 2-cyanomorpholine-4-carboxylate (PubChem CID 79674867) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is propan-2-yl 2-cyanomorpholine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-cyanomorpholine-4-carboxylate
PubChem CID79674867
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namepropan-2-yl 2-cyanomorpholine-4-carboxylate
SMILESCC(C)OC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H14N2O3/c1-7(2)14-9(12)11-3-4-13-8(5-10)6-11/h7-8H,3-4,6H2,1-2H3
InChIKeyKGQKQXCHGYRCHI-UHFFFAOYSA-N
XLogP0.76
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
CID 79681377
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
(2S,3S)-2-[(2-cyanomorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 79676734
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
propan-2-yl (3R)-3-cyanopiperidine-1-carboxylate
CID 130806171
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
CID 78945675
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-cyanomorpholine-4-carboxylate?
The IUPAC name of propan-2-yl 2-cyanomorpholine-4-carboxylate (CID 79674867) is propan-2-yl 2-cyanomorpholine-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-cyanomorpholine-4-carboxylate?
The canonical SMILES for propan-2-yl 2-cyanomorpholine-4-carboxylate is CC(C)OC(=O)N1CCOC(C#N)C1.
What is the InChIKey of propan-2-yl 2-cyanomorpholine-4-carboxylate?
The InChIKey is KGQKQXCHGYRCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(2)14-9(12)11-3-4-13-8(5-10)6-11/h7-8H,3-4,6H2,1-2H3.
What are the key properties of propan-2-yl 2-cyanomorpholine-4-carboxylate?
propan-2-yl 2-cyanomorpholine-4-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-cyanomorpholine-4-carboxylate is sourced from PubChem (CID 79674867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).