1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid

C13H17N3O4S — CID 43441254

IUPAC1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)NNC(=O)c1cccs1
InChIInChI=1S/C13H17N3O4S/c17-11(14-15-12(18)10-5-3-7-21-10)8-16-6-2-1-4-9(16)13(19)20/h3,5,7,9H,1-2,4,6,8H2,(H,14,17)(H,15,18)(H,19,20)
InChIKeyGZJINSWVTCYHSK-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.45
Rot. Bonds4

About 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid

1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid (PubChem CID 43441254) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
PubChem CID43441254
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
SMILESO=C(CN1CCCCC1C(=O)O)NNC(=O)c1cccs1
InChIInChI=1S/C13H17N3O4S/c17-11(14-15-12(18)10-5-3-7-21-10)8-16-6-2-1-4-9(16)13(19)20/h3,5,7,9H,1-2,4,6,8H2,(H,14,17)(H,15,18)(H,19,20)
InChIKeyGZJINSWVTCYHSK-UHFFFAOYSA-N
XLogP0.45
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
CID 115314251
N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
CID 82756313
trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
1-[2-(2-iodoanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564340
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
(2S)-1-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910617

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid (CID 43441254) is 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid is O=C(CN1CCCCC1C(=O)O)NNC(=O)c1cccs1.
What is the InChIKey of 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid?
The InChIKey is GZJINSWVTCYHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c17-11(14-15-12(18)10-5-3-7-21-10)8-16-6-2-1-4-9(16)13(19)20/h3,5,7,9H,1-2,4,6,8H2,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid?
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).