methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate

C11H19N3O4 — CID 110189646

IUPACmethyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)NN1CCOCC1
InChIInChI=1S/C11H19N3O4/c1-17-10(15)9-3-2-4-14(9)11(16)12-13-5-7-18-8-6-13/h9H,2-8H2,1H3,(H,12,16)
InChIKeyMSKXRKICBSVJCV-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.42
Rot. Bonds2

About methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate

methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate (PubChem CID 110189646) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate
PubChem CID110189646
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Namemethyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)NN1CCOCC1
InChIInChI=1S/C11H19N3O4/c1-17-10(15)9-3-2-4-14(9)11(16)12-13-5-7-18-8-6-13/h9H,2-8H2,1H3,(H,12,16)
InChIKeyMSKXRKICBSVJCV-UHFFFAOYSA-N
XLogP-0.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61199397
methyl (4S)-5-(2-oxopropanoyl)-1,5-oxazocane-4-carboxylate
CID 18655027
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
3-methyl-N-morpholin-4-ylpiperidine-1-carboxamide
CID 116657340
methyl 1-(7-oxabicyclo[4.1.0]heptane-1-carbonyl)pyrrolidine-2-carboxylate
CID 12629859
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2S)-1-[(1R)-1-hydroxy-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 118482731
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593

Frequently Asked Questions

What is the IUPAC name of methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate (CID 110189646) is methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)NN1CCOCC1.
What is the InChIKey of methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate?
The InChIKey is MSKXRKICBSVJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-17-10(15)9-3-2-4-14(9)11(16)12-13-5-7-18-8-6-13/h9H,2-8H2,1H3,(H,12,16).
What are the key properties of methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate?
methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(morpholin-4-ylcarbamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 110189646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).