2-morpholin-4-yldecanoic acid

C14H27NO3 — CID 57259608

IUPAC2-morpholin-4-yldecanoic acid
SMILESCCCCCCCCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-13(14(16)17)15-9-11-18-12-10-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeySECQNJQAASOWLR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.52
Rot. Bonds9

About 2-morpholin-4-yldecanoic acid

2-morpholin-4-yldecanoic acid (PubChem CID 57259608) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-morpholin-4-yldecanoic acid.

Molecular Properties

Compound Name2-morpholin-4-yldecanoic acid
PubChem CID57259608
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-morpholin-4-yldecanoic acid
SMILESCCCCCCCCC(C(=O)O)N1CCOCC1
InChIInChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-13(14(16)17)15-9-11-18-12-10-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeySECQNJQAASOWLR-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
2-piperidin-1-ylheptanoic acid
CID 43803843
4-hexadecan-8-ylmorpholine
CID 126489366
2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid
CID 146134852
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
ethyl 2-(aziridin-1-yl)octadecanoate
CID 21446509
2-chloro-1-morpholin-4-ylnonan-1-one
CID 55048109
1-amino-1-morpholin-4-ylheptadecan-4-one
CID 57166044
18-morpholin-4-yloctadecan-7-ol
CID 154324774
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
2-(azepan-1-yl)pentanoic acid
CID 43866463
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yldecanoic acid?
The IUPAC name of 2-morpholin-4-yldecanoic acid (CID 57259608) is 2-morpholin-4-yldecanoic acid.
What is the SMILES notation for 2-morpholin-4-yldecanoic acid?
The canonical SMILES for 2-morpholin-4-yldecanoic acid is CCCCCCCCC(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yldecanoic acid?
The InChIKey is SECQNJQAASOWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-13(14(16)17)15-9-11-18-12-10-15/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-morpholin-4-yldecanoic acid?
2-morpholin-4-yldecanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yldecanoic acid is sourced from PubChem (CID 57259608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).