2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid

C9H15N3O5S — CID 162414677

IUPAC2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
SMILESNCC(=O)N1C(CO)SC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O5S/c10-1-6(14)12-5(4-18-7(12)3-13)9(17)11-2-8(15)16/h5,7,13H,1-4,10H2,(H,11,17)(H,15,16)/t5-,7?/m0/s1
InChIKeyFGFUNZPDZQNBLU-DSEUIKHZSA-N
MW277.30 g/mol
LogP-2.59
Rot. Bonds5

About 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid

2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid (PubChem CID 162414677) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
PubChem CID162414677
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
SMILESNCC(=O)N1C(CO)SC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O5S/c10-1-6(14)12-5(4-18-7(12)3-13)9(17)11-2-8(15)16/h5,7,13H,1-4,10H2,(H,11,17)(H,15,16)/t5-,7?/m0/s1
InChIKeyFGFUNZPDZQNBLU-DSEUIKHZSA-N
XLogP-2.59
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetic acid
CID 477573
Cartasteine
CID 193952
N-(2-Methyl-1,3-thiazolidine-4-carbonyl)glycine
CID 53948971
Glycine, N-[(2-oxo-4-thiazolidinyl)carbonyl]-
CID 9813095
N-(1,3-thiazolidine-4-carbonyl)glycine
CID 61159301
2-[(2-Acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid
CID 11482413
N-acetyl-2-methylthiazolidine-4-carbonyl glycine
CID 129850204
3-(2-Aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 3065225
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
2-[(2-Oxo-1,3-thiazolidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257967
2-[1,3-Thiazolidine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258411
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 103915375

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid (CID 162414677) is 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid is NCC(=O)N1C(CO)SC[C@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
The InChIKey is FGFUNZPDZQNBLU-DSEUIKHZSA-N. The full InChI is InChI=1S/C9H15N3O5S/c10-1-6(14)12-5(4-18-7(12)3-13)9(17)11-2-8(15)16/h5,7,13H,1-4,10H2,(H,11,17)(H,15,16)/t5-,7?/m0/s1.
What are the key properties of 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid?
2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid has a molecular weight of 277.30 g/mol, XLogP of -2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 162414677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).