2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid

C16H20N2O4S — CID 119210083

IUPAC2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C16H20N2O4S/c19-14(8-12-4-2-1-3-5-12)17-10-15(20)18-6-7-23-11-13(18)9-16(21)22/h1-5,13H,6-11H2,(H,17,19)(H,21,22)
InChIKeyOZRZECRSIYJCOA-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.76
Rot. Bonds6

About 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid

2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid (PubChem CID 119210083) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid
PubChem CID119210083
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C16H20N2O4S/c19-14(8-12-4-2-1-3-5-12)17-10-15(20)18-6-7-23-11-13(18)9-16(21)22/h1-5,13H,6-11H2,(H,17,19)(H,21,22)
InChIKeyOZRZECRSIYJCOA-UHFFFAOYSA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[(2-phenylacetyl)amino]propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210347
2-[4-(2-naphthalen-1-ylacetyl)thiomorpholin-3-yl]acetic acid
CID 119210887
2-[4-[2-[4-(2-methylpropyl)phenyl]acetyl]thiomorpholin-3-yl]acetic acid
CID 119210376
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
CID 79291484
2-[4-[2-(cyclohexylcarbamoylamino)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210797
2-[4-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]thiomorpholin-3-yl]acetic acid
CID 119210440
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide
CID 75440848
2-[4-[2-(9-oxoacridin-10-yl)acetyl]thiomorpholin-3-yl]acetic acid
CID 120520582

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid (CID 119210083) is 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is OZRZECRSIYJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-14(8-12-4-2-1-3-5-12)17-10-15(20)18-6-7-23-11-13(18)9-16(21)22/h1-5,13H,6-11H2,(H,17,19)(H,21,22).
What are the key properties of 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 336.41 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).