N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide

C12H22N2O3 — CID 22666948

IUPACN-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
SMILESCCCCC(CC(=O)NO)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-2-3-6-10(9-11(15)13-17)12(16)14-7-4-5-8-14/h10,17H,2-9H2,1H3,(H,13,15)
InChIKeyYMMVLDYPKBFSKQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.31
Rot. Bonds6

About N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide

N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide (PubChem CID 22666948) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide.

Molecular Properties

Compound NameN-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
PubChem CID22666948
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
SMILESCCCCC(CC(=O)NO)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-2-3-6-10(9-11(15)13-17)12(16)14-7-4-5-8-14/h10,17H,2-9H2,1H3,(H,13,15)
InChIKeyYMMVLDYPKBFSKQ-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]hexanoyl]-N-methyl-pyrrolidine-2-carboxamide
CID 488030
1-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
CID 49823388
1-[2-[1-Fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 88052959
(2S)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 88052961
(2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 88053028
(2S)-1-[(2S)-2-[1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 88053244
2-butyl-N'-hydroxy-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)butanediamide
CID 9819378
N-[(4-butyl-2-oxopyrrolidin-3-yl)methyl]-N-hydroxyformamide
CID 9964457
2-[1-Hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
CID 17894881
2-[1-[2-(Hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
CID 19705503
N-(4-amino-4-oxobutyl)-4-hexyl-N-hydroxytetradecanamide
CID 20240430
3-(1-Hydroxy-2-oxopyrrolidin-3-yl)propanamide
CID 21898147

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
The IUPAC name of N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide (CID 22666948) is N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide.
What is the SMILES notation for N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
The canonical SMILES for N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide is CCCCC(CC(=O)NO)C(=O)N1CCCC1.
What is the InChIKey of N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
The InChIKey is YMMVLDYPKBFSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-6-10(9-11(15)13-17)12(16)14-7-4-5-8-14/h10,17H,2-9H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide has a molecular weight of 242.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide is sourced from PubChem (CID 22666948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).