1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide

C15H27N3O2 — CID 115432078

IUPAC1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCC(CC)(CN)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C15H27N3O2/c1-3-15(4-2,10-16)14(20)18-9-5-6-12(18)13(19)17-11-7-8-11/h11-12H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyPKRKTNWBZKRSNH-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds6

About 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide

1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 115432078) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID115432078
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCC(CC)(CN)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C15H27N3O2/c1-3-15(4-2,10-16)14(20)18-9-5-6-12(18)13(19)17-11-7-8-11/h11-12H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyPKRKTNWBZKRSNH-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291895
1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120607933
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 115432078) is 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide is CCC(CC)(CN)C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is PKRKTNWBZKRSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-15(4-2,10-16)14(20)18-9-5-6-12(18)13(19)17-11-7-8-11/h11-12H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide?
1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115432078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).