2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid

C9H12N4O4S — CID 107438781

IUPAC2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NCc1cscn1
InChIInChI=1S/C9H12N4O4S/c10-7(14)2-13(3-8(15)16)9(17)11-1-6-4-18-5-12-6/h4-5H,1-3H2,(H2,10,14)(H,11,17)(H,15,16)
InChIKeyAGVRVXWFBPVWOJ-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.78
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 107438781) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
PubChem CID107438781
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC Name2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NCc1cscn1
InChIInChI=1S/C9H12N4O4S/c10-7(14)2-13(3-8(15)16)9(17)11-1-6-4-18-5-12-6/h4-5H,1-3H2,(H2,10,14)(H,11,17)(H,15,16)
InChIKeyAGVRVXWFBPVWOJ-UHFFFAOYSA-N
XLogP-0.78
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[prop-2-ynyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79282955
2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79271168
2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 107438329
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005640
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737
2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 79271368
2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 107438527
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 98583925
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid (CID 107438781) is 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)NCc1cscn1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is AGVRVXWFBPVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c10-7(14)2-13(3-8(15)16)9(17)11-1-6-4-18-5-12-6/h4-5H,1-3H2,(H2,10,14)(H,11,17)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 272.29 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107438781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).