4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid

C10H16BrNO3 — CID 172686558

IUPAC4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CCC2CC2Br)CCO1
InChIInChI=1S/C10H16BrNO3/c11-8-5-7(8)1-2-12-3-4-15-9(6-12)10(13)14/h7-9H,1-6H2,(H,13,14)
InChIKeyBCPXKHWHBBINBM-UHFFFAOYSA-N
MW278.15 g/mol
LogP0.95
Rot. Bonds4

About 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid

4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid (PubChem CID 172686558) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid
PubChem CID172686558
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC Name4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(CCC2CC2Br)CCO1
InChIInChI=1S/C10H16BrNO3/c11-8-5-7(8)1-2-12-3-4-15-9(6-12)10(13)14/h7-9H,1-6H2,(H,13,14)
InChIKeyBCPXKHWHBBINBM-UHFFFAOYSA-N
XLogP0.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
(2S)-4-[2-(cyclopropen-1-yl)ethyl]morpholine-2-carboxylic acid
CID 124567569
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
4-hept-6-enylmorpholine-2-carboxylic acid
CID 107007820
4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride
CID 53393294
4-(3-ethoxypropyl)morpholine-2-carboxylic acid
CID 65180987
4-(2-methylpentyl)morpholine-2-carboxylic acid
CID 62266429
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid
CID 122570187
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 107078251
cyclohexyl-(4-propylmorpholin-2-yl)methanone
CID 79669542

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid (CID 172686558) is 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid is O=C(O)C1CN(CCC2CC2Br)CCO1.
What is the InChIKey of 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid?
The InChIKey is BCPXKHWHBBINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3/c11-8-5-7(8)1-2-12-3-4-15-9(6-12)10(13)14/h7-9H,1-6H2,(H,13,14).
What are the key properties of 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid?
4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid has a molecular weight of 278.15 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromocyclopropyl)ethyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 172686558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).