1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide

C11H21N3O3 — CID 175801820

IUPAC1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(CCCCCC(=O)NO)C1
InChIInChI=1S/C11H21N3O3/c12-11(16)9-5-7-14(8-9)6-3-1-2-4-10(15)13-17/h9,17H,1-8H2,(H2,12,16)(H,13,15)
InChIKeyCITPYPFZURZUQO-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.14
Rot. Bonds7

About 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide

1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide (PubChem CID 175801820) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide
PubChem CID175801820
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(CCCCCC(=O)NO)C1
InChIInChI=1S/C11H21N3O3/c12-11(16)9-5-7-14(8-9)6-3-1-2-4-10(15)13-17/h9,17H,1-8H2,(H2,12,16)(H,13,15)
InChIKeyCITPYPFZURZUQO-UHFFFAOYSA-N
XLogP-0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(hydroxyamino)-6-oxohexyl]piperidine-3-carboxamide
CID 175801868
7-[3-(cyclopentylmethyl)piperidin-1-yl]-N-hydroxyheptanamide
CID 156776118
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87958018
1-octadecylpiperidine-4-carboxamide
CID 4134920
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
5-(3-hydroxypyrrolidin-1-yl)pentanehydrazide
CID 63572255
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241

Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide (CID 175801820) is 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(CCCCCC(=O)NO)C1.
What is the InChIKey of 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide?
The InChIKey is CITPYPFZURZUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-11(16)9-5-7-14(8-9)6-3-1-2-4-10(15)13-17/h9,17H,1-8H2,(H2,12,16)(H,13,15).
What are the key properties of 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide?
1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 175801820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).