2-(4-but-3-ynylmorpholin-2-yl)acetic acid

C10H15NO3 — CID 66434270

IUPAC2-(4-but-3-ynylmorpholin-2-yl)acetic acid
SMILESC#CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-4-11-5-6-14-9(8-11)7-10(12)13/h1,9H,3-8H2,(H,12,13)
InChIKeyPGDIKKIALXEABA-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.19
Rot. Bonds4

About 2-(4-but-3-ynylmorpholin-2-yl)acetic acid

2-(4-but-3-ynylmorpholin-2-yl)acetic acid (PubChem CID 66434270) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(4-but-3-ynylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-but-3-ynylmorpholin-2-yl)acetic acid
PubChem CID66434270
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(4-but-3-ynylmorpholin-2-yl)acetic acid
SMILESC#CCCN1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-3-4-11-5-6-14-9(8-11)7-10(12)13/h1,9H,3-8H2,(H,12,13)
InChIKeyPGDIKKIALXEABA-UHFFFAOYSA-N
XLogP0.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
2-[4-[2-(2-methoxyethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66434854
(4-pent-4-ynylmorpholin-2-yl)methanol
CID 115873222
2-[4-[4-(methylamino)-4-oxobutyl]morpholin-2-yl]acetic acid
CID 66434649
(2S)-4-but-3-ynyl-2-methylmorpholine
CID 127004547
2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
CID 66434098
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-ynylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(4-but-3-ynylmorpholin-2-yl)acetic acid (CID 66434270) is 2-(4-but-3-ynylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-but-3-ynylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(4-but-3-ynylmorpholin-2-yl)acetic acid is C#CCCN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-(4-but-3-ynylmorpholin-2-yl)acetic acid?
The InChIKey is PGDIKKIALXEABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-11-5-6-14-9(8-11)7-10(12)13/h1,9H,3-8H2,(H,12,13).
What are the key properties of 2-(4-but-3-ynylmorpholin-2-yl)acetic acid?
2-(4-but-3-ynylmorpholin-2-yl)acetic acid has a molecular weight of 197.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-ynylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 66434270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).