2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid

C13H16ClNO4S — CID 120527715

IUPAC2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(C(=O)N1CCOC(CC(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClNO4S/c1-8(10-2-3-11(14)20-10)13(18)15-4-5-19-9(7-15)6-12(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyBESJNDBSFCOTDC-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.21
Rot. Bonds4

About 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 120527715) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID120527715
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(C(=O)N1CCOC(CC(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClNO4S/c1-8(10-2-3-11(14)20-10)13(18)15-4-5-19-9(7-15)6-12(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyBESJNDBSFCOTDC-UHFFFAOYSA-N
XLogP2.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184
(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124610754
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
4-[2-(5-bromothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239784
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248048
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid (CID 120527715) is 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid is CC(C(=O)N1CCOC(CC(=O)O)C1)c1ccc(Cl)s1.
What is the InChIKey of 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is BESJNDBSFCOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-8(10-2-3-11(14)20-10)13(18)15-4-5-19-9(7-15)6-12(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 317.79 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).