(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid

C12H14ClNO4S — CID 124610754

IUPAC(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESC[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClNO4S/c1-7(9-2-3-10(13)19-9)11(15)14-4-5-18-8(6-14)12(16)17/h2-3,7-8H,4-6H2,1H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyGDCSFAPZADZJCN-YUMQZZPRSA-N
MW303.77 g/mol
LogP1.82
Rot. Bonds3

About (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid

(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 124610754) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
PubChem CID124610754
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESC[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClNO4S/c1-7(9-2-3-10(13)19-9)11(15)14-4-5-18-8(6-14)12(16)17/h2-3,7-8H,4-6H2,1H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyGDCSFAPZADZJCN-YUMQZZPRSA-N
XLogP1.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-bromothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239784
2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 120527715
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184
(2S)-2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327130
(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide
CID 97064861
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
(2R)-4-[(2S)-2-(2-chloro-5-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 129468435
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
(3S)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124689976
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 120817281
4-[3-(4-propan-2-ylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119239576
(2R)-4-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704011

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid (CID 124610754) is (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid is C[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(Cl)s1.
What is the InChIKey of (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is GDCSFAPZADZJCN-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-7(9-2-3-10(13)19-9)11(15)14-4-5-18-8(6-14)12(16)17/h2-3,7-8H,4-6H2,1H3,(H,16,17)/t7-,8-/m0/s1.
What are the key properties of (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid?
(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 303.77 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124610754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).