3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid

C17H26N2O4S — CID 124683577

IUPAC3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
SMILESCCO[C@H](C)c1nc(CC(=O)N2CCCC[C@@H]2CCC(=O)O)cs1
InChIInChI=1S/C17H26N2O4S/c1-3-23-12(2)17-18-13(11-24-17)10-15(20)19-9-5-4-6-14(19)7-8-16(21)22/h11-12,14H,3-10H2,1-2H3,(H,21,22)/t12-,14-/m1/s1
InChIKeyFKCOBARMJADPBG-TZMCWYRMSA-N
MW354.47 g/mol
LogP3.03
Rot. Bonds8

About 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid (PubChem CID 124683577) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
PubChem CID124683577
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
SMILESCCO[C@H](C)c1nc(CC(=O)N2CCCC[C@@H]2CCC(=O)O)cs1
InChIInChI=1S/C17H26N2O4S/c1-3-23-12(2)17-18-13(11-24-17)10-15(20)19-9-5-4-6-14(19)7-8-16(21)22/h11-12,14H,3-10H2,1-2H3,(H,21,22)/t12-,14-/m1/s1
InChIKeyFKCOBARMJADPBG-TZMCWYRMSA-N
XLogP3.03
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid with MolForge

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Related Compounds

3-[1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidin-2-yl]propanoic acid
CID 62800180
1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
CID 122149082
(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125152734
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097
3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid
CID 124683557
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 124590393
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
2-[2-[1-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82123462
1-[1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111434600
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid (CID 124683577) is 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid is CCO[C@H](C)c1nc(CC(=O)N2CCCC[C@@H]2CCC(=O)O)cs1.
What is the InChIKey of 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid?
The InChIKey is FKCOBARMJADPBG-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-23-12(2)17-18-13(11-24-17)10-15(20)19-9-5-4-6-14(19)7-8-16(21)22/h11-12,14H,3-10H2,1-2H3,(H,21,22)/t12-,14-/m1/s1.
What are the key properties of 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid has a molecular weight of 354.47 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124683577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).