N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide

C17H31N3O2 — CID 119602226

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)NC1CCCC1CN
InChIInChI=1S/C17H31N3O2/c1-17(2,3)10-15(21)20-9-5-8-14(20)16(22)19-13-7-4-6-12(13)11-18/h12-14H,4-11,18H2,1-3H3,(H,19,22)
InChIKeyJYCRQULTTIOKLN-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 119602226) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID119602226
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCC1C(=O)NC1CCCC1CN
InChIInChI=1S/C17H31N3O2/c1-17(2,3)10-15(21)20-9-5-8-14(20)16(22)19-13-7-4-6-12(13)11-18/h12-14H,4-11,18H2,1-3H3,(H,19,22)
InChIKeyJYCRQULTTIOKLN-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119425971
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119601319
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 51071442
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
CID 109380565
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 95332251
N-(2-aminoethyl)-1-[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 119480372
N-[2-(aminomethyl)cyclopentyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119602179
1-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 119410683

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide (CID 119602226) is N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide is CC(C)(C)CC(=O)N1CCCC1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is JYCRQULTTIOKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)10-15(21)20-9-5-8-14(20)16(22)19-13-7-4-6-12(13)11-18/h12-14H,4-11,18H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119602226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).