(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

C13H17N3O4S — CID 129466439

IUPAC(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1cscn1
InChIInChI=1S/C13H17N3O4S/c1-15(12(18)10-7-21-8-14-10)6-11(17)16-4-2-3-9(5-16)13(19)20/h7-9H,2-6H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyDGTBSFWGNRCTIN-SECBINFHSA-N
MW311.36 g/mol
LogP0.54
Rot. Bonds4

About (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 129466439) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
PubChem CID129466439
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1cscn1
InChIInChI=1S/C13H17N3O4S/c1-15(12(18)10-7-21-8-14-10)6-11(17)16-4-2-3-9(5-16)13(19)20/h7-9H,2-6H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyDGTBSFWGNRCTIN-SECBINFHSA-N
XLogP0.54
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129468518
(3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129470384
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589
1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534157
1-[2-[(4-chloro-2-methylbenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689295
1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689288
(3R)-1-[2-[(2-bromo-5-methoxybenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 97259694
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 137031893
1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 120534234
1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122108313

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (CID 129466439) is (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)c1cscn1.
What is the InChIKey of (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is DGTBSFWGNRCTIN-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-15(12(18)10-7-21-8-14-10)6-11(17)16-4-2-3-9(5-16)13(19)20/h7-9H,2-6H2,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129466439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).