2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid

C9H12N4O5S — CID 114181701

IUPAC2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H12N4O5S/c14-6(10-3-7(15)16)2-12-8(17)11-1-5-4-19-9(18)13-5/h4H,1-3H2,(H,10,14)(H,13,18)(H,15,16)(H2,11,12,17)
InChIKeyFXVOHEWQMWGHMK-UHFFFAOYSA-N
MW288.29 g/mol
LogP-1.56
Rot. Bonds6

About 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid

2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid (PubChem CID 114181701) has the molecular formula C9H12N4O5S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
PubChem CID114181701
Molecular FormulaC9H12N4O5S
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H12N4O5S/c14-6(10-3-7(15)16)2-12-8(17)11-1-5-4-19-9(18)13-5/h4H,1-3H2,(H,10,14)(H,13,18)(H,15,16)(H2,11,12,17)
InChIKeyFXVOHEWQMWGHMK-UHFFFAOYSA-N
XLogP-1.56
TPSA140.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 106379556
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
4,4-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382771
2-(2-hydroxyphenyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 103775150
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382833
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106381106
cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106379549
2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 114181679
2-methyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 106382835
(2R)-4-methylsulfanyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 114181716
2-methyl-4-oxo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-2-propan-2-ylbutanoic acid
CID 106379532

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid (CID 114181701) is 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
The InChIKey is FXVOHEWQMWGHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5S/c14-6(10-3-7(15)16)2-12-8(17)11-1-5-4-19-9(18)13-5/h4H,1-3H2,(H,10,14)(H,13,18)(H,15,16)(H2,11,12,17).
What are the key properties of 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid has a molecular weight of 288.29 g/mol, XLogP of -1.56, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 114181701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).