2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid

C11H17N3O3S — CID 114128695

IUPAC2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCc1cnc(CNC(=O)NC(C)C(C)C(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-6-4-12-9(18-6)5-13-11(17)14-8(3)7(2)10(15)16/h4,7-8H,5H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyVMQFBGWVMQFBDY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.36
Rot. Bonds5

About 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid

2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 114128695) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID114128695
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
SMILESCc1cnc(CNC(=O)NC(C)C(C)C(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-6-4-12-9(18-6)5-13-11(17)14-8(3)7(2)10(15)16/h4,7-8H,5H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyVMQFBGWVMQFBDY-UHFFFAOYSA-N
XLogP1.36
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic 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

1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97008333
1-(3,3-dimethylbutan-2-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71868255
5-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 114128702
1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]urea
CID 97219054
3-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114128717
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
1-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid (CID 114128695) is 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid is Cc1cnc(CNC(=O)NC(C)C(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is VMQFBGWVMQFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6-4-12-9(18-6)5-13-11(17)14-8(3)7(2)10(15)16/h4,7-8H,5H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid?
2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 114128695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).