N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide

C9H17N3O2 — CID 115192169

IUPACN'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide
SMILESCN1CCC(CCNC(=O)C(N)=O)C1
InChIInChI=1S/C9H17N3O2/c1-12-5-3-7(6-12)2-4-11-9(14)8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyCAPPNNRVSQBKOC-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.07
Rot. Bonds3

About N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide

N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide (PubChem CID 115192169) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide
PubChem CID115192169
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide
SMILESCN1CCC(CCNC(=O)C(N)=O)C1
InChIInChI=1S/C9H17N3O2/c1-12-5-3-7(6-12)2-4-11-9(14)8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyCAPPNNRVSQBKOC-UHFFFAOYSA-N
XLogP-1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
2-amino-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]-3-oxopropanoic acid
CID 115179485
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115180122
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
ethyl 2-[2-(1-methylpiperidin-3-yl)ethylamino]-2-oxoacetate
CID 115142076
1-[2-(1-methylpyrrolidin-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183879
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
2-amino-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115152765
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide?
The IUPAC name of N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide (CID 115192169) is N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide is CN1CCC(CCNC(=O)C(N)=O)C1.
What is the InChIKey of N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide?
The InChIKey is CAPPNNRVSQBKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12-5-3-7(6-12)2-4-11-9(14)8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide?
N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide has a molecular weight of 199.25 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide is sourced from PubChem (CID 115192169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).