2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid

C10H15N3O3S — CID 62669220

IUPAC2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(CNC(=O)N(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7(9(14)15)3-11-10(16)13(2)4-8-5-17-6-12-8/h5-7H,3-4H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyJCOSSYGXCHNFHR-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid

2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 62669220) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID62669220
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCC(CNC(=O)N(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7(9(14)15)3-11-10(16)13(2)4-8-5-17-6-12-8/h5-7H,3-4H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyJCOSSYGXCHNFHR-UHFFFAOYSA-N
XLogP1.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 107839327
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
2-[2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182649
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55011798
5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55011839
3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea
CID 127265828
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid (CID 62669220) is 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid is CC(CNC(=O)N(C)Cc1cscn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is JCOSSYGXCHNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7(9(14)15)3-11-10(16)13(2)4-8-5-17-6-12-8/h5-7H,3-4H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62669220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).