2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide

C12H25N3O — CID 62068958

IUPAC2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCC(N)C1
InChIInChI=1S/C12H25N3O/c1-5-12(3,4)14-11(16)9(2)15-7-6-10(13)8-15/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyFMFVRMZTSPPPMA-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide

2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 62068958) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
PubChem CID62068958
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCC(N)C1
InChIInChI=1S/C12H25N3O/c1-5-12(3,4)14-11(16)9(2)15-7-6-10(13)8-15/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyFMFVRMZTSPPPMA-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
CID 119909909
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 79993020
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
2-[(3S)-3-aminopyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 81492569
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 63874811
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 80507190
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 104931498

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide (CID 62068958) is 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is FMFVRMZTSPPPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-12(3,4)14-11(16)9(2)15-7-6-10(13)8-15/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 62068958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).