cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate

C12H22N2O3 — CID 112738613

IUPACcyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate
SMILESCNCC1CN(C(=O)OC2CCCC2)CCO1
InChIInChI=1S/C12H22N2O3/c1-13-8-11-9-14(6-7-16-11)12(15)17-10-4-2-3-5-10/h10-11,13H,2-9H2,1H3
InChIKeyRBDRCBMMZQVKFM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.99
Rot. Bonds3

About cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate

cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate (PubChem CID 112738613) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namecyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate
PubChem CID112738613
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namecyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate
SMILESCNCC1CN(C(=O)OC2CCCC2)CCO1
InChIInChI=1S/C12H22N2O3/c1-13-8-11-9-14(6-7-16-11)12(15)17-10-4-2-3-5-10/h10-11,13H,2-9H2,1H3
InChIKeyRBDRCBMMZQVKFM-UHFFFAOYSA-N
XLogP0.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
[2-(methylaminomethyl)morpholin-4-yl]-(1-methylcyclohexyl)methanone
CID 106828083
(2,2-dimethylcyclopentyl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 107180979
cyclopentyl N-[(4-ethylmorpholin-2-yl)methyl]carbamate
CID 112738868
2,2,3,3-tetrafluoro-1-[2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 114032641
(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 106688583
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160440
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
N,N-dimethyl-4-[2-(methylaminomethyl)morpholin-4-yl]piperidine-1-carboxamide
CID 83261507
1-[4-(2-methoxycyclohexyl)morpholin-2-yl]-N-methylmethanamine
CID 106873305

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate?
The IUPAC name of cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate (CID 112738613) is cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate.
What is the SMILES notation for cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate?
The canonical SMILES for cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate is CNCC1CN(C(=O)OC2CCCC2)CCO1.
What is the InChIKey of cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate?
The InChIKey is RBDRCBMMZQVKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-8-11-9-14(6-7-16-11)12(15)17-10-4-2-3-5-10/h10-11,13H,2-9H2,1H3.
What are the key properties of cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate?
cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(methylaminomethyl)morpholine-4-carboxylate is sourced from PubChem (CID 112738613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).