2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid

C13H23NO3 — CID 79862286

IUPAC2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid
SMILESCC1(C)CCCC1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-13(2)5-3-4-11(13)14-6-7-17-10(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyNFCNTMXUGSKFBJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds3

About 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid

2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid (PubChem CID 79862286) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid
PubChem CID79862286
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid
SMILESCC1(C)CCCC1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-13(2)5-3-4-11(13)14-6-7-17-10(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyNFCNTMXUGSKFBJ-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
[4-(2,2-dimethylcyclobutyl)morpholin-2-yl]methanamine
CID 130554808
2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 106664270
2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
CID 66432953
2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
CID 66435669
3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid
CID 79862181
2-[4-(1-propylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66434708
1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 79863529
1-(2,2-dimethylcyclopentyl)-4-methylpiperidine-4-carboxylic acid
CID 79863319
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
CID 114224344
2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 106216443
2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid
CID 129414298

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid (CID 79862286) is 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid is CC1(C)CCCC1N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid?
The InChIKey is NFCNTMXUGSKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2)5-3-4-11(13)14-6-7-17-10(9-14)8-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid?
2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 79862286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).