2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide

C13H25N3O — CID 79797487

IUPAC2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-3-13(2,14)12(17)15-8-10-6-7-16(9-10)11-4-5-11/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyJEIXOFDFHMQIPH-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds5

About 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide

2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide (PubChem CID 79797487) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
PubChem CID79797487
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H25N3O/c1-3-13(2,14)12(17)15-8-10-6-7-16(9-10)11-4-5-11/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyJEIXOFDFHMQIPH-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
CID 119854796
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106135461
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide (CID 79797487) is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide is CCC(C)(N)C(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide?
The InChIKey is JEIXOFDFHMQIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-13(2,14)12(17)15-8-10-6-7-16(9-10)11-4-5-11/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide?
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 79797487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).