2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid

C14H18N2O3S — CID 66422867

IUPAC2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
SMILESO=C(CC1CSCCN1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-12(8-11-9-20-7-6-15-11)16-13(14(18)19)10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2,(H,16,17)(H,18,19)
InChIKeyMXPUXODSPWGNGV-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.02
Rot. Bonds5

About 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid

2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid (PubChem CID 66422867) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
PubChem CID66422867
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
SMILESO=C(CC1CSCCN1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-12(8-11-9-20-7-6-15-11)16-13(14(18)19)10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2,(H,16,17)(H,18,19)
InChIKeyMXPUXODSPWGNGV-UHFFFAOYSA-N
XLogP1.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-[(3-chlorophenyl)-phenylmethyl]-2-thiomorpholin-3-ylacetamide
CID 119937245
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444
N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938079
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide
CID 139762199
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid?
The IUPAC name of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid (CID 66422867) is 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid is O=C(CC1CSCCN1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid?
The InChIKey is MXPUXODSPWGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-12(8-11-9-20-7-6-15-11)16-13(14(18)19)10-4-2-1-3-5-10/h1-5,11,13,15H,6-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid?
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid has a molecular weight of 294.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid is sourced from PubChem (CID 66422867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).