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

C11H13NO4S — CID 124513592

IUPAC(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C11H13NO4S/c1-7-2-5-17-9(7)10(13)12-3-4-16-6-8(12)11(14)15/h2,5,8H,3-4,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyHTPXVYZNZJYHSC-QMMMGPOBSA-N
MW255.29 g/mol
LogP0.98
Rot. Bonds2

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

(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid (PubChem CID 124513592) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
PubChem CID124513592
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C11H13NO4S/c1-7-2-5-17-9(7)10(13)12-3-4-16-6-8(12)11(14)15/h2,5,8H,3-4,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyHTPXVYZNZJYHSC-QMMMGPOBSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 134072245
(3S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513715
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
CID 104774896
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 119216837
(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124596115
4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxylic acid
CID 66569646
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470352

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid (CID 124513592) is (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid is Cc1ccsc1C(=O)N1CCOC[C@H]1C(=O)O.
What is the InChIKey of (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is HTPXVYZNZJYHSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-7-2-5-17-9(7)10(13)12-3-4-16-6-8(12)11(14)15/h2,5,8H,3-4,6H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124513592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).