2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid

C9H14N2O2S — CID 116890720

IUPAC2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
SMILESCCCc1nc(CC(N)C(=O)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-2-3-8-11-6(5-14-8)4-7(10)9(12)13/h5,7H,2-4,10H2,1H3,(H,12,13)
InChIKeyDDWWTYHNAYMNGR-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.05
Rot. Bonds5

About 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid

2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid (PubChem CID 116890720) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
PubChem CID116890720
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
SMILESCCCc1nc(CC(N)C(=O)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-2-3-8-11-6(5-14-8)4-7(10)9(12)13/h5,7H,2-4,10H2,1H3,(H,12,13)
InChIKeyDDWWTYHNAYMNGR-UHFFFAOYSA-N
XLogP1.05
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic 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-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
2-amino-3-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 82021609
2-amino-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 60929744
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
acetic acid;4-ethyl-2-tridecyl-1,3-thiazole
CID 70113929
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid (CID 116890720) is 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid is CCCc1nc(CC(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid?
The InChIKey is DDWWTYHNAYMNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-3-8-11-6(5-14-8)4-7(10)9(12)13/h5,7H,2-4,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid?
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 116890720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).