3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide

C8H17N3O — CID 130557882

IUPAC3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N)C1C
InChIInChI=1S/C8H17N3O/c1-3-10-8(12)11-5-4-7(9)6(11)2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyYJZRVMNRCODEII-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds1

About 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide

3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide (PubChem CID 130557882) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
PubChem CID130557882
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N)C1C
InChIInChI=1S/C8H17N3O/c1-3-10-8(12)11-5-4-7(9)6(11)2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyYJZRVMNRCODEII-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride
CID 130686037
1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
CID 130557857
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide
CID 122236611
3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide
CID 131204335
3-amino-N-ethylazetidine-1-carboxamide
CID 63766743
N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide
CID 126989361
4-(2-aminocyclohexanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 64825150
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
4-amino-N-butyl-2-methylpiperidine-1-carboxamide
CID 115312277
1-methoxypropan-2-yl 3-amino-2-methylpyrrolidine-1-carboxylate
CID 170768698
3-(4-amino-3-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79868702

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide (CID 130557882) is 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(N)C1C.
What is the InChIKey of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
The InChIKey is YJZRVMNRCODEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10-8(12)11-5-4-7(9)6(11)2/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 130557882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).