2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid

C12H23NO3 — CID 83158040

IUPAC2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
SMILESCC(C)CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-10(2)4-3-5-13-6-7-16-11(9-13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyZACXPCCFZUJMSP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

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

2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid (PubChem CID 83158040) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
PubChem CID83158040
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
SMILESCC(C)CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-10(2)4-3-5-13-6-7-16-11(9-13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyZACXPCCFZUJMSP-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-3-carboxy-2-(2-methylpropanoyloxy)propyl]-trimethylazanium
CID 168380
[3-Carboxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium
CID 6426852
1-(2-Methoxyethyl)piperidine-4-carboxylic acid hydrochloride
CID 45075032
1-[(Tert-butoxy)carbonyl]-3-methoxypiperidine-4-carboxylic acid
CID 71112753
rac-(3R,4R)-1-((tert-butoxy)carbonyl)-3-methoxypiperidine-4-carboxylic acid
CID 86711241
(2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine
CID 87087938
2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium
CID 3081011
[3-Carboxy-2-(2-methylbutanoyloxy)propyl]-trimethylazanium
CID 6426902
[3-Carboxy-2-(3-hydroxy-2-methylbutanoyl)oxypropyl]-trimethylazanium
CID 53679786
2-(8-((Tert-butoxy)carbonyl)-5-oxa-8-azaspiro(3.5)nonan-6-yl)acetic acid
CID 138991057
2-Ethylpropanedioylcarnitine
CID 156962952
[3-Carboxy-2-(2-methylpropanoyloxy)propyl]-trimethylazanium
CID 10177003

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid (CID 83158040) is 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid is CC(C)CCCN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid?
The InChIKey is ZACXPCCFZUJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)4-3-5-13-6-7-16-11(9-13)8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid?
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 83158040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).