3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid

C8H13N3O4S — CID 61159117

IUPAC3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)NCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H13N3O4S/c9-1-6(12)10-2-7(13)11-4-16-3-5(11)8(14)15/h5H,1-4,9H2,(H,10,12)(H,14,15)
InChIKeyOSWYIASOAVNGSA-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.95
Rot. Bonds4

About 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61159117) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61159117
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESNCC(=O)NCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H13N3O4S/c9-1-6(12)10-2-7(13)11-4-16-3-5(11)8(14)15/h5H,1-4,9H2,(H,10,12)(H,14,15)
InChIKeyOSWYIASOAVNGSA-UHFFFAOYSA-N
XLogP-1.95
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 82962457
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 59927103
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-[2-[(4-methylbenzoyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359216
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002
(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161160
(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144843
3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359457
CID 22950351
CID 22950351
3-[2-(2-thionitrosooxypropanoylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 58991961

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61159117) is 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid is NCC(=O)NCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OSWYIASOAVNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c9-1-6(12)10-2-7(13)11-4-16-3-5(11)8(14)15/h5H,1-4,9H2,(H,10,12)(H,14,15).
What are the key properties of 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.28 g/mol, XLogP of -1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61159117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).