(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

C18H26N4O5 — CID 102290347

IUPAC(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCOC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)NN)cc1
InChIInChI=1S/C18H26N4O5/c1-11(15(23)21-19)20-16(24)14-5-4-10-22(14)17(25)12-6-8-13(9-7-12)18(26-2)27-3/h6-9,11,14,18H,4-5,10,19H2,1-3H3,(H,20,24)(H,21,23)/t11-,14+/m0/s1
InChIKeySKXXQGFFOALLBJ-SMDDNHRTSA-N
MW378.43 g/mol
LogP0.08
Rot. Bonds7

About (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 102290347) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID102290347
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SMILESCOC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)NN)cc1
InChIInChI=1S/C18H26N4O5/c1-11(15(23)21-19)20-16(24)14-5-4-10-22(14)17(25)12-6-8-13(9-7-12)18(26-2)27-3/h6-9,11,14,18H,4-5,10,19H2,1-3H3,(H,20,24)(H,21,23)/t11-,14+/m0/s1
InChIKeySKXXQGFFOALLBJ-SMDDNHRTSA-N
XLogP0.08
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-(dimethoxymethyl)benzoyl]-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
CID 100951099
(2R)-N-[(1S)-1-(4-chlorophenyl)-2-hydrazinyl-2-oxoethyl]-1-[4-(dimethoxymethyl)benzoyl]pyrrolidine-2-carboxamide
CID 102454242
(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 102392381
(2S)-1-benzoyl-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 173398428
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2S)-1-benzoyl-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 162739482
1-benzoyl-N-[(2S)-1-[[3-(benzylamino)-2,3-dioxopropyl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 163762141
1-(4-bromobenzoyl)-N-[(2S)-1-hydroxybutan-2-yl]pyrrolidine-2-carboxamide
CID 86803364
methyl (2S)-1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
CID 908743
methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
CID 908839
benzyl (2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CID 150631043
(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 95303706

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide (CID 102290347) is (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is COC(OC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)NN)cc1.
What is the InChIKey of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is SKXXQGFFOALLBJ-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-11(15(23)21-19)20-16(24)14-5-4-10-22(14)17(25)12-6-8-13(9-7-12)18(26-2)27-3/h6-9,11,14,18H,4-5,10,19H2,1-3H3,(H,20,24)(H,21,23)/t11-,14+/m0/s1.
What are the key properties of (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide?
(2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(dimethoxymethyl)benzoyl]-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102290347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).