(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid

C12H14N2O4S — CID 119368058

IUPAC(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
SMILESNC(=O)CSCC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O4S/c13-9(15)6-19-7-10(16)14-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H2,13,15)(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyMOEFAJKECKENTN-LLVKDONJSA-N
MW282.32 g/mol
LogP0.15
Rot. Bonds7

About (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid

(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid (PubChem CID 119368058) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
PubChem CID119368058
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
SMILESNC(=O)CSCC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H14N2O4S/c13-9(15)6-19-7-10(16)14-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H2,13,15)(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyMOEFAJKECKENTN-LLVKDONJSA-N
XLogP0.15
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(carboxymethylsulfanyl)acetyl]amino]-2-phenylacetic acid
CID 104569833
(2S)-2-phenyl-2-[(2-propylsulfanylacetyl)amino]acetic acid
CID 119372714
(2R)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278001
(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278000
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2S)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 119366835
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-phenyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]acetic acid
CID 43358392
(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
CID 42377293
(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide
CID 97089947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid (CID 119368058) is (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid is NC(=O)CSCC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid?
The InChIKey is MOEFAJKECKENTN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14N2O4S/c13-9(15)6-19-7-10(16)14-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H2,13,15)(H,14,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid has a molecular weight of 282.32 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119368058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).