(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid

C13H17NO5 — CID 124696036

IUPAC(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(CCC(=O)N2CCO[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO5/c1-9-2-3-10(19-9)4-5-12(15)14-6-7-18-11(8-14)13(16)17/h2-3,11H,4-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyOECWZTCMHDQHIL-LLVKDONJSA-N
MW267.28 g/mol
LogP0.83
Rot. Bonds4

About (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid

(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 124696036) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
PubChem CID124696036
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(CCC(=O)N2CCO[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO5/c1-9-2-3-10(19-9)4-5-12(15)14-6-7-18-11(8-14)13(16)17/h2-3,11H,4-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyOECWZTCMHDQHIL-LLVKDONJSA-N
XLogP0.83
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-[3-(5-phenylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124703973
1-[3-(5-methylfuran-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167644
4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239465
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
3-(5-methylfuran-2-yl)-1-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129328263
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid (CID 124696036) is (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid is Cc1ccc(CCC(=O)N2CCO[C@@H](C(=O)O)C2)o1.
What is the InChIKey of (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is OECWZTCMHDQHIL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9-2-3-10(19-9)4-5-12(15)14-6-7-18-11(8-14)13(16)17/h2-3,11H,4-8H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid?
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124696036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).