6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid

C11H19N3O4 — CID 138469785

IUPAC6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NNC1=NC(C(=O)O)CCC1
InChIInChI=1S/C11H19N3O4/c1-11(2,3)18-10(17)14-13-8-6-4-5-7(12-8)9(15)16/h7H,4-6H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeySMOUAKLPJLMJQW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.05
Rot. Bonds1

About 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid

6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid (PubChem CID 138469785) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid
PubChem CID138469785
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NNC1=NC(C(=O)O)CCC1
InChIInChI=1S/C11H19N3O4/c1-11(2,3)18-10(17)14-13-8-6-4-5-7(12-8)9(15)16/h7H,4-6H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeySMOUAKLPJLMJQW-UHFFFAOYSA-N
XLogP1.05
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic 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

tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 71055961
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
tert-butyl N-(cyclobutylmethylamino)carbamate
CID 58693863
tert-butyl N-(cyclododecanecarbonylamino)carbamate
CID 175503254
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
(1R,2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid
CID 173472060
(1R)-2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]cyclopentane-1-carboxylic acid
CID 91349596

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid (CID 138469785) is 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid is CC(C)(C)OC(=O)NNC1=NC(C(=O)O)CCC1.
What is the InChIKey of 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
The InChIKey is SMOUAKLPJLMJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2,3)18-10(17)14-13-8-6-4-5-7(12-8)9(15)16/h7H,4-6H2,1-3H3,(H,12,13)(H,14,17)(H,15,16).
What are the key properties of 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid?
6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2,3,4,5-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 138469785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).