2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C12H23N3O — CID 60856927

IUPAC2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C(C)(N)C2CC2)C1
InChIInChI=1S/C12H23N3O/c1-12(13,10-3-4-10)11(16)14-7-9-5-6-15(2)8-9/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyHLVMPVDXMPIUSP-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.18
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 60856927) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID60856927
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C(C)(N)C2CC2)C1
InChIInChI=1S/C12H23N3O/c1-12(13,10-3-4-10)11(16)14-7-9-5-6-15(2)8-9/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyHLVMPVDXMPIUSP-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
2-amino-2-cyclopropyl-N-(cyclopropylmethyl)propanamide
CID 60867867
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275
4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 115157048
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-amino-N-(2-cyclopentylethyl)-2-cyclopropylpropanamide
CID 60919572
2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 114995517

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 60856927) is 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CN1CCC(CNC(=O)C(C)(N)C2CC2)C1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is HLVMPVDXMPIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(13,10-3-4-10)11(16)14-7-9-5-6-15(2)8-9/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 60856927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).