1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid

C10H16N2O5 — CID 81204434

IUPAC1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)N2CCOC(CO)C2)C1
InChIInChI=1S/C10H16N2O5/c13-6-8-5-11(1-2-17-8)10(16)12-3-7(4-12)9(14)15/h7-8,13H,1-6H2,(H,14,15)
InChIKeyFCRUCJULDKSEHV-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.18
Rot. Bonds2

About 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid

1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid (PubChem CID 81204434) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
PubChem CID81204434
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)N2CCOC(CO)C2)C1
InChIInChI=1S/C10H16N2O5/c13-6-8-5-11(1-2-17-8)10(16)12-3-7(4-12)9(14)15/h7-8,13H,1-6H2,(H,14,15)
InChIKeyFCRUCJULDKSEHV-UHFFFAOYSA-N
XLogP-1.18
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81204653
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
(E)-4-[2-(hydroxymethyl)morpholin-4-yl]-4-oxobut-2-enoic acid
CID 81203259
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792
3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 81204424
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid (CID 81204434) is 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)N2CCOC(CO)C2)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
The InChIKey is FCRUCJULDKSEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-6-8-5-11(1-2-17-8)10(16)12-3-7(4-12)9(14)15/h7-8,13H,1-6H2,(H,14,15).
What are the key properties of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid?
1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 81204434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).