(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid

C10H10BrNO5 — CID 124610786

IUPAC(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2occc2Br)CCO1
InChIInChI=1S/C10H10BrNO5/c11-6-1-3-17-8(6)9(13)12-2-4-16-7(5-12)10(14)15/h1,3,7H,2,4-5H2,(H,14,15)/t7-/m0/s1
InChIKeyGFYBKKZXWCACNV-ZETCQYMHSA-N
MW304.10 g/mol
LogP0.97
Rot. Bonds2

About (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124610786) has the molecular formula C10H10BrNO5 and a molecular weight of 304.10 g/mol. Its IUPAC name is (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID124610786
Molecular FormulaC10H10BrNO5
Molecular Weight304.10 g/mol
Exact Mass302.97
IUPAC Name(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2occc2Br)CCO1
InChIInChI=1S/C10H10BrNO5/c11-6-1-3-17-8(6)9(13)12-2-4-16-7(5-12)10(14)15/h1,3,7H,2,4-5H2,(H,14,15)/t7-/m0/s1
InChIKeyGFYBKKZXWCACNV-ZETCQYMHSA-N
XLogP0.97
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylfuran-2-carbonyl)morpholine-2-carbothioamide
CID 79674751
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(3-bromofuran-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413838
4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239343
(2S)-4-(4-bromo-1H-indole-3-carbonyl)morpholine-2-carboxylic acid
CID 125118741
4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239332
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
4-[4-(trifluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 126795264
4-(3-fluoro-4-nitrobenzoyl)morpholine-2-carboxylic acid
CID 62681609
4-[4-(difluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 119358136
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
CID 119238696

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid (CID 124610786) is (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2occc2Br)CCO1.
What is the InChIKey of (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is GFYBKKZXWCACNV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10BrNO5/c11-6-1-3-17-8(6)9(13)12-2-4-16-7(5-12)10(14)15/h1,3,7H,2,4-5H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 304.10 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124610786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).