(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid

C10H15NO3 — CID 124567569

IUPAC(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(CCC2=CC2)CCO1
InChIInChI=1S/C10H15NO3/c12-10(13)9-7-11(5-6-14-9)4-3-8-1-2-8/h1,9H,2-7H2,(H,12,13)/t9-/m0/s1
InChIKeyDHCHEEHOJRITPS-VIFPVBQESA-N
MW197.23 g/mol
LogP0.49
Rot. Bonds4

About (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid

(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid (PubChem CID 124567569) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid
PubChem CID124567569
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(CCC2=CC2)CCO1
InChIInChI=1S/C10H15NO3/c12-10(13)9-7-11(5-6-14-9)4-3-8-1-2-8/h1,9H,2-7H2,(H,12,13)/t9-/m0/s1
InChIKeyDHCHEEHOJRITPS-VIFPVBQESA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid (CID 124567569) is (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(CCC2=CC2)CCO1.
What is the InChIKey of (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid?
The InChIKey is DHCHEEHOJRITPS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3/c12-10(13)9-7-11(5-6-14-9)4-3-8-1-2-8/h1,9H,2-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid?
(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124567569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).