methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate

C12H23N3O3 — CID 113402708

IUPACmethyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(C)C2CNCCO2)C1
InChIInChI=1S/C12H23N3O3/c1-9(11-7-13-4-6-18-11)15-5-3-10(8-15)14-12(16)17-2/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyNEIXZSZWFFNIEZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.21
Rot. Bonds3

About methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate (PubChem CID 113402708) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate
PubChem CID113402708
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Namemethyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(C)C2CNCCO2)C1
InChIInChI=1S/C12H23N3O3/c1-9(11-7-13-4-6-18-11)15-5-3-10(8-15)14-12(16)17-2/h9-11,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyNEIXZSZWFFNIEZ-UHFFFAOYSA-N
XLogP-0.21
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine
CID 113398961
2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 113398970
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 106981194
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-morpholin-2-ylpropanamide
CID 174592194
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
N-cyclopropyl-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]propanamide
CID 119839089
1-(1-morpholin-2-ylethoxy)ethanol
CID 18790491
methyl N-[1-(4-methylsulfanylpyrrolidin-3-yl)pyrrolidin-3-yl]carbamate
CID 113402349
1-morpholin-2-ylpropane-1,2-diol;hydrochloride
CID 174973290
(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102945634

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate (CID 113402708) is methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(C)C2CNCCO2)C1.
What is the InChIKey of methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is NEIXZSZWFFNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(11-7-13-4-6-18-11)15-5-3-10(8-15)14-12(16)17-2/h9-11,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 257.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 113402708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).