3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid

C11H17N3O4S — CID 106382965

IUPAC3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O4S/c1-7(2)14(4-3-9(15)16)10(17)12-5-8-6-19-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyOIPLFNIYDQEDPG-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.83
Rot. Bonds6

About 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid (PubChem CID 106382965) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
PubChem CID106382965
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H17N3O4S/c1-7(2)14(4-3-9(15)16)10(17)12-5-8-6-19-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyOIPLFNIYDQEDPG-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid with MolForge

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Related Compounds

2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 106382782
2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 114181679
3-[(4-methylphenyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 61190416
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 106005647
3-[propan-2-yl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]propanoic acid
CID 64524508
N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 106380942
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62119078
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl-propan-2-ylamino]propanoic acid
CID 61203436
2-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]propanoic acid
CID 106382338
4-[(2-methylphenyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 61204814

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid (CID 106382965) is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid?
The InChIKey is OIPLFNIYDQEDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7(2)14(4-3-9(15)16)10(17)12-5-8-6-19-11(18)13-8/h6-7H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid?
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 106382965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).