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

C12H22N2O3 — CID 23520253

IUPAC(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
SMILESCCCC[C@H](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)/t10-/m1/s1
InChIKeyYMMVLDYPKBFSKQ-SNVBAGLBSA-N
MW242.32 g/mol
LogP1.31
Rot. Bonds6

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

(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide (PubChem CID 23520253) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
PubChem CID23520253
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
SMILESCCCC[C@H](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)/t10-/m1/s1
InChIKeyYMMVLDYPKBFSKQ-SNVBAGLBSA-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

(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
CID 142133700
tert-butyl (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]piperidine-2-carboxylate
CID 23520236
4-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]-N-[(3R,4R)-3-methyl-5-oxoheptan-4-yl]piperazine-1-carboxamide
CID 54414517
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520196
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
CID 166996653
2-ethenyl-1-piperidin-1-ylhexan-1-one
CID 90718085
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-ethylhexan-1-one
CID 80665419

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
The IUPAC name of (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide (CID 23520253) is (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide.
What is the SMILES notation for (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
The canonical SMILES for (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide is CCCC[C@H](CC(=O)NO)C(=O)N1CCCC1.
What is the InChIKey of (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
The InChIKey is YMMVLDYPKBFSKQ-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide?
(3R)-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 (3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide is sourced from PubChem (CID 23520253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).