2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid

C15H21ClN2O4S — CID 129335184

IUPAC2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESC[C@H](C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2O4S/c1-10(12-3-4-13(16)23-12)15(21)18-5-6-22-11(8-18)7-17(2)9-14(19)20/h3-4,10-11H,5-9H2,1-2H3,(H,19,20)/t10-,11-/m0/s1
InChIKeyIEPDWGBBQCSLCT-QWRGUYRKSA-N
MW360.86 g/mol
LogP1.75
Rot. Bonds6

About 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129335184) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129335184
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESC[C@H](C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1)c1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2O4S/c1-10(12-3-4-13(16)23-12)15(21)18-5-6-22-11(8-18)7-17(2)9-14(19)20/h3-4,10-11H,5-9H2,1-2H3,(H,19,20)/t10-,11-/m0/s1
InChIKeyIEPDWGBBQCSLCT-QWRGUYRKSA-N
XLogP1.75
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 120527715
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124610754
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476565
(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
2-[[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122075883
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966724
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606962

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 129335184) is 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid is C[C@H](C(=O)N1CCO[C@@H](CN(C)CC(=O)O)C1)c1ccc(Cl)s1.
What is the InChIKey of 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is IEPDWGBBQCSLCT-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-10(12-3-4-13(16)23-12)15(21)18-5-6-22-11(8-18)7-17(2)9-14(19)20/h3-4,10-11H,5-9H2,1-2H3,(H,19,20)/t10-,11-/m0/s1.
What are the key properties of 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 360.86 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129335184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).