5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid

C12H17NO5 — CID 81204459

IUPAC5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N1CCOC(CO)C1
InChIInChI=1S/C12H17NO5/c1-8(10-2-3-11(18-10)12(15)16)13-4-5-17-9(6-13)7-14/h2-3,8-9,14H,4-7H2,1H3,(H,15,16)
InChIKeyNICOSSYNUWCQQD-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.73
Rot. Bonds4

About 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid

5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid (PubChem CID 81204459) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
PubChem CID81204459
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N1CCOC(CO)C1
InChIInChI=1S/C12H17NO5/c1-8(10-2-3-11(18-10)12(15)16)13-4-5-17-9(6-13)7-14/h2-3,8-9,14H,4-7H2,1H3,(H,15,16)
InChIKeyNICOSSYNUWCQQD-UHFFFAOYSA-N
XLogP0.73
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
CID 79083918
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
5-[1-(3-methoxypyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 103535178
5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083924
5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79090059
2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
CID 81204253
5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]furan-2-carboxylic acid
CID 81204669
1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204175
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
CID 79085629
2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433752

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid (CID 81204459) is 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N1CCOC(CO)C1.
What is the InChIKey of 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
The InChIKey is NICOSSYNUWCQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-8(10-2-3-11(18-10)12(15)16)13-4-5-17-9(6-13)7-14/h2-3,8-9,14H,4-7H2,1H3,(H,15,16).
What are the key properties of 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid?
5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(hydroxymethyl)morpholin-4-yl]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 81204459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).