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

C9H14N2O3 — CID 66435629

IUPAC2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
SMILESN#CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H14N2O3/c10-2-1-3-11-4-5-14-8(7-11)6-9(12)13/h8H,1,3-7H2,(H,12,13)
InChIKeyUSIRBLRERQULIT-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.08
Rot. Bonds4

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

2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid (PubChem CID 66435629) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
PubChem CID66435629
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
SMILESN#CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H14N2O3/c10-2-1-3-11-4-5-14-8(7-11)6-9(12)13/h8H,1,3-7H2,(H,12,13)
InChIKeyUSIRBLRERQULIT-UHFFFAOYSA-N
XLogP0.08
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
CID 66434649
2-[4-[2-cyanoethyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433326
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
CID 66434098
2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid
CID 114495022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid (CID 66435629) is 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid is N#CCCN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid?
The InChIKey is USIRBLRERQULIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-2-1-3-11-4-5-14-8(7-11)6-9(12)13/h8H,1,3-7H2,(H,12,13).
What are the key properties of 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid?
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid has a molecular weight of 198.22 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).