2-(1,3-thiazolidine-4-carbonylamino)acetic acid

C6H10N2O3S — CID 61159301

IUPAC2-(1,3-thiazolidine-4-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CSCN1
InChIInChI=1S/C6H10N2O3S/c9-5(10)1-7-6(11)4-2-12-3-8-4/h4,8H,1-3H2,(H,7,11)(H,9,10)
InChIKeyNXTYBQWVXDPCKQ-UHFFFAOYSA-N
MW190.22 g/mol
LogP-1.15
Rot. Bonds3

About 2-(1,3-thiazolidine-4-carbonylamino)acetic acid

2-(1,3-thiazolidine-4-carbonylamino)acetic acid (PubChem CID 61159301) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(1,3-thiazolidine-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(1,3-thiazolidine-4-carbonylamino)acetic acid
PubChem CID61159301
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-(1,3-thiazolidine-4-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)C1CSCN1
InChIInChI=1S/C6H10N2O3S/c9-5(10)1-7-6(11)4-2-12-3-8-4/h4,8H,1-3H2,(H,7,11)(H,9,10)
InChIKeyNXTYBQWVXDPCKQ-UHFFFAOYSA-N
XLogP-1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
The IUPAC name of 2-(1,3-thiazolidine-4-carbonylamino)acetic acid (CID 61159301) is 2-(1,3-thiazolidine-4-carbonylamino)acetic acid.
What is the SMILES notation for 2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
The canonical SMILES for 2-(1,3-thiazolidine-4-carbonylamino)acetic acid is O=C(O)CNC(=O)C1CSCN1.
What is the InChIKey of 2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
The InChIKey is NXTYBQWVXDPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c9-5(10)1-7-6(11)4-2-12-3-8-4/h4,8H,1-3H2,(H,7,11)(H,9,10).
What are the key properties of 2-(1,3-thiazolidine-4-carbonylamino)acetic acid?
2-(1,3-thiazolidine-4-carbonylamino)acetic acid has a molecular weight of 190.22 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidine-4-carbonylamino)acetic acid is sourced from PubChem (CID 61159301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).