3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C14H24N2O5 — CID 102933740

IUPAC3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCCC(C(=O)O)C2)CC(CO)O1
InChIInChI=1S/C14H24N2O5/c1-9-6-16(7-12(8-17)21-9)14(20)15-11-4-2-3-10(5-11)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyWDDQQUGSZSPNFO-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.42
Rot. Bonds3

About 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 102933740) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID102933740
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCCC(C(=O)O)C2)CC(CO)O1
InChIInChI=1S/C14H24N2O5/c1-9-6-16(7-12(8-17)21-9)14(20)15-11-4-2-3-10(5-11)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyWDDQQUGSZSPNFO-UHFFFAOYSA-N
XLogP0.42
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
CID 114005918

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 102933740) is 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is CC1CN(C(=O)NC2CCCC(C(=O)O)C2)CC(CO)O1.
What is the InChIKey of 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WDDQQUGSZSPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-9-6-16(7-12(8-17)21-9)14(20)15-11-4-2-3-10(5-11)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102933740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).