2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid

C10H14N4O4S — CID 107438329

IUPAC2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1nc(CNC(=O)N(CC(N)=O)CC(=O)O)cs1
InChIInChI=1S/C10H14N4O4S/c1-6-13-7(5-19-6)2-12-10(18)14(3-8(11)15)4-9(16)17/h5H,2-4H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeySIQNNHDSELDJAT-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.47
Rot. Bonds6

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

2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 107438329) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
PubChem CID107438329
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1nc(CNC(=O)N(CC(N)=O)CC(=O)O)cs1
InChIInChI=1S/C10H14N4O4S/c1-6-13-7(5-19-6)2-12-10(18)14(3-8(11)15)4-9(16)17/h5H,2-4H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeySIQNNHDSELDJAT-UHFFFAOYSA-N
XLogP-0.47
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (CID 107438329) is 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is Cc1nc(CNC(=O)N(CC(N)=O)CC(=O)O)cs1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is SIQNNHDSELDJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-6-13-7(5-19-6)2-12-10(18)14(3-8(11)15)4-9(16)17/h5H,2-4H2,1H3,(H2,11,15)(H,12,18)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 286.31 g/mol, XLogP of -0.47, 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)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107438329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).