3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid

C18H24N2O4S — CID 15221053

IUPAC3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid
SMILESC[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1
InChIInChI=1S/C18H24N2O4S/c1-13(9-17-20-11-16(25-17)7-8-18(22)23)19-10-14(21)12-24-15-5-3-2-4-6-15/h2-6,11,13-14,19,21H,7-10,12H2,1H3,(H,22,23)/t13-,14+/m1/s1
InChIKeyRADSZQZWYHKGEG-KGLIPLIRSA-N
MW364.47 g/mol
LogP2.12
Rot. Bonds11

About 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid

3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid (PubChem CID 15221053) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid
PubChem CID15221053
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid
SMILESC[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1
InChIInChI=1S/C18H24N2O4S/c1-13(9-17-20-11-16(25-17)7-8-18(22)23)19-10-14(21)12-24-15-5-3-2-4-6-15/h2-6,11,13-14,19,21H,7-10,12H2,1H3,(H,22,23)/t13-,14+/m1/s1
InChIKeyRADSZQZWYHKGEG-KGLIPLIRSA-N
XLogP2.12
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid (CID 15221053) is 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid is C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1.
What is the InChIKey of 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is RADSZQZWYHKGEG-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13(9-17-20-11-16(25-17)7-8-18(22)23)19-10-14(21)12-24-15-5-3-2-4-6-15/h2-6,11,13-14,19,21H,7-10,12H2,1H3,(H,22,23)/t13-,14+/m1/s1.
What are the key properties of 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid?
3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 364.47 g/mol, XLogP of 2.12, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 15221053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).