N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide

C9H17N3O3 — CID 77036476

IUPACN'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
SMILESCOCCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-15-6-4-8(13)12-5-2-3-7(12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyGZSRVEOCSKLMLH-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.24
Rot. Bonds4

About N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide (PubChem CID 77036476) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
PubChem CID77036476
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
SMILESCOCCC(=O)N1CCCC1C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-15-6-4-8(13)12-5-2-3-7(12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyGZSRVEOCSKLMLH-UHFFFAOYSA-N
XLogP-0.24
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
CID 77036233
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
N'-hydroxy-1-(3,4,4-trimethylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036440

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide (CID 77036476) is N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide is COCCC(=O)N1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide?
The InChIKey is GZSRVEOCSKLMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-15-6-4-8(13)12-5-2-3-7(12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide has a molecular weight of 215.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).