(2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide

C8H15N3O3 — CID 124708906

IUPAC(2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide
SMILESCO[C@@H]1C[C@H](C(=O)NN)N(C(C)=O)C1
InChIInChI=1S/C8H15N3O3/c1-5(12)11-4-6(14-2)3-7(11)8(13)10-9/h6-7H,3-4,9H2,1-2H3,(H,10,13)/t6-,7-/m1/s1
InChIKeyDMCIOTVZCDBSMB-RNFRBKRXSA-N
MW201.23 g/mol
LogP-1.39
Rot. Bonds2

About (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide

(2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide (PubChem CID 124708906) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide
PubChem CID124708906
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide
SMILESCO[C@@H]1C[C@H](C(=O)NN)N(C(C)=O)C1
InChIInChI=1S/C8H15N3O3/c1-5(12)11-4-6(14-2)3-7(11)8(13)10-9/h6-7H,3-4,9H2,1-2H3,(H,10,13)/t6-,7-/m1/s1
InChIKeyDMCIOTVZCDBSMB-RNFRBKRXSA-N
XLogP-1.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 21251523
(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 154005523
(2R,4S)-1-acetyl-N'-[2-(2-benzylphenoxy)acetyl]-4-methoxypyrrolidine-2-carbohydrazide
CID 119049748
1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159404
(2S,4R)-1-[(2S)-2-aminopropanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 22822683
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 18404291
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
1-O-tert-butyl 2-O-methyl (4S)-4-methoxypyrrolidine-1,2-dicarboxylate
CID 112547208
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 83113219
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
aziridine-1,2-dicarbohydrazide
CID 139822017
1-[2-[(2-aminoacetyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61159252

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide?
The IUPAC name of (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide (CID 124708906) is (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide?
The canonical SMILES for (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide is CO[C@@H]1C[C@H](C(=O)NN)N(C(C)=O)C1.
What is the InChIKey of (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide?
The InChIKey is DMCIOTVZCDBSMB-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(12)11-4-6(14-2)3-7(11)8(13)10-9/h6-7H,3-4,9H2,1-2H3,(H,10,13)/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide?
(2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide has a molecular weight of 201.23 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-acetyl-4-methoxypyrrolidine-2-carbohydrazide is sourced from PubChem (CID 124708906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).