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

C11H13NO5S — CID 124596115

IUPAC(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCOc1csc(C(=O)N2CCOC[C@H]2C(=O)O)c1
InChIInChI=1S/C11H13NO5S/c1-16-7-4-9(18-6-7)10(13)12-2-3-17-5-8(12)11(14)15/h4,6,8H,2-3,5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyHYEPKJHJETWOOM-QMMMGPOBSA-N
MW271.29 g/mol
LogP0.68
Rot. Bonds3

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

(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid (PubChem CID 124596115) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
PubChem CID124596115
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCOc1csc(C(=O)N2CCOC[C@H]2C(=O)O)c1
InChIInChI=1S/C11H13NO5S/c1-16-7-4-9(18-6-7)10(13)12-2-3-17-5-8(12)11(14)15/h4,6,8H,2-3,5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyHYEPKJHJETWOOM-QMMMGPOBSA-N
XLogP0.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 120521719
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
CID 75470371
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216541
(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
CID 125118869
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513410
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202
(3R)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513461
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
2-cyclopropyl-3-(4-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81126806
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid (CID 124596115) is (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid is COc1csc(C(=O)N2CCOC[C@H]2C(=O)O)c1.
What is the InChIKey of (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is HYEPKJHJETWOOM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-16-7-4-9(18-6-7)10(13)12-2-3-17-5-8(12)11(14)15/h4,6,8H,2-3,5H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 271.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124596115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).