(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid

C15H17NO5 — CID 124513542

IUPAC(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C15H17NO5/c17-14(16-5-6-20-9-12(16)15(18)19)11-7-10-3-1-2-4-13(10)21-8-11/h1-4,11-12H,5-9H2,(H,18,19)/t11-,12-/m1/s1
InChIKeyKLNYXRIGDQETMV-VXGBXAGGSA-N
MW291.30 g/mol
LogP0.55
Rot. Bonds2

About (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 124513542) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID124513542
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C15H17NO5/c17-14(16-5-6-20-9-12(16)15(18)19)11-7-10-3-1-2-4-13(10)21-8-11/h1-4,11-12H,5-9H2,(H,18,19)/t11-,12-/m1/s1
InChIKeyKLNYXRIGDQETMV-VXGBXAGGSA-N
XLogP0.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
1-(3,4-dihydro-2H-chromene-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036029
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421216
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132391
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 47168182
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid (CID 124513542) is (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is KLNYXRIGDQETMV-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H17NO5/c17-14(16-5-6-20-9-12(16)15(18)19)11-7-10-3-1-2-4-13(10)21-8-11/h1-4,11-12H,5-9H2,(H,18,19)/t11-,12-/m1/s1.
What are the key properties of (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).