2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O5 — CID 102933774

IUPAC2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCCC2C(=O)O)CC(CO)O1
InChIInChI=1S/C13H22N2O5/c1-8-5-15(6-9(7-16)20-8)13(19)14-11-4-2-3-10(11)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyMVJHQNFEZOUBSB-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.03
Rot. Bonds3

About 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid

2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 102933774) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID102933774
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCCC2C(=O)O)CC(CO)O1
InChIInChI=1S/C13H22N2O5/c1-8-5-15(6-9(7-16)20-8)13(19)14-11-4-2-3-10(11)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyMVJHQNFEZOUBSB-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 102933740
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 66369912
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
CID 114005918
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone
CID 107184501

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 102933774) is 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid is CC1CN(C(=O)NC2CCCC2C(=O)O)CC(CO)O1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MVJHQNFEZOUBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-5-15(6-9(7-16)20-8)13(19)14-11-4-2-3-10(11)12(17)18/h8-11,16H,2-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 102933774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).