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

C11H17N3O4S — CID 106382782

IUPAC2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O4S/c1-7(2)4-14(5-9(15)16)10(17)12-3-8-6-19-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyWNSMWQVHCCBBRZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.69
Rot. Bonds6

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

2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 106382782) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
PubChem CID106382782
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O4S/c1-7(2)4-14(5-9(15)16)10(17)12-3-8-6-19-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyWNSMWQVHCCBBRZ-UHFFFAOYSA-N
XLogP0.69
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]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

2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 114181679
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103997753
5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 106379556
4,4-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382771
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (CID 106382782) is 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is WNSMWQVHCCBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7(2)4-14(5-9(15)16)10(17)12-3-8-6-19-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106382782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).