N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

C9H18N2O3 — CID 173024529

IUPACN,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NO)C(C)(C)N1O
InChIInChI=1S/C9H18N2O3/c1-8(2)5-6(7(12)10-13)9(3,4)11(8)14/h6,13-14H,5H2,1-4H3,(H,10,12)
InChIKeyDXSSHGZYKCVHQQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.76
Rot. Bonds1

About N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (PubChem CID 173024529) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
PubChem CID173024529
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NO)C(C)(C)N1O
InChIInChI=1S/C9H18N2O3/c1-8(2)5-6(7(12)10-13)9(3,4)11(8)14/h6,13-14H,5H2,1-4H3,(H,10,12)
InChIKeyDXSSHGZYKCVHQQ-UHFFFAOYSA-N
XLogP0.76
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 173091347
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397
N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 54113282
[3,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138724462
2-bromo-N-[(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]acetamide
CID 7017932
N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)butanamide
CID 126614954
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-ol
CID 551669
CID 10105754
CID 10105754
3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypentyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895387
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
(3S)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3-carboxylic acid
CID 45038575

Frequently Asked Questions

What is the IUPAC name of N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The IUPAC name of N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (CID 173024529) is N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The canonical SMILES for N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is CC1(C)CC(C(=O)NO)C(C)(C)N1O.
What is the InChIKey of N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The InChIKey is DXSSHGZYKCVHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2)5-6(7(12)10-13)9(3,4)11(8)14/h6,13-14H,5H2,1-4H3,(H,10,12).
What are the key properties of N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide has a molecular weight of 202.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 173024529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).