2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid

C10H12N4O5S — CID 107434591

IUPAC2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
SMILESCC(=O)Nc1nc(C(=O)N(CC(N)=O)CC(=O)O)cs1
InChIInChI=1S/C10H12N4O5S/c1-5(15)12-10-13-6(4-20-10)9(19)14(2-7(11)16)3-8(17)18/h4H,2-3H2,1H3,(H2,11,16)(H,17,18)(H,12,13,15)
InChIKeyFPSMGZNLLWMUAM-UHFFFAOYSA-N
MW300.30 g/mol
LogP-0.89
Rot. Bonds6

About 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid

2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid (PubChem CID 107434591) has the molecular formula C10H12N4O5S and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
PubChem CID107434591
Molecular FormulaC10H12N4O5S
Molecular Weight300.30 g/mol
Exact Mass300.05
IUPAC Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
SMILESCC(=O)Nc1nc(C(=O)N(CC(N)=O)CC(=O)O)cs1
InChIInChI=1S/C10H12N4O5S/c1-5(15)12-10-13-6(4-20-10)9(19)14(2-7(11)16)3-8(17)18/h4H,2-3H2,1H3,(H2,11,16)(H,17,18)(H,12,13,15)
InChIKeyFPSMGZNLLWMUAM-UHFFFAOYSA-N
XLogP-0.89
TPSA142.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid?
The IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid (CID 107434591) is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid is CC(=O)Nc1nc(C(=O)N(CC(N)=O)CC(=O)O)cs1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid?
The InChIKey is FPSMGZNLLWMUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5S/c1-5(15)12-10-13-6(4-20-10)9(19)14(2-7(11)16)3-8(17)18/h4H,2-3H2,1H3,(H2,11,16)(H,17,18)(H,12,13,15).
What are the key properties of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid?
2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid has a molecular weight of 300.30 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 107434591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).