(3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide

C9H20N4O — CID 90488125

IUPAC(3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](CN(C)C)[C@H](N)C1
InChIInChI=1S/C9H20N4O/c1-11-9(14)13-5-7(4-12(2)3)8(10)6-13/h7-8H,4-6,10H2,1-3H3,(H,11,14)/t7-,8-/m1/s1
InChIKeyYVGJNUPLERBLQH-HTQZYQBOSA-N
MW200.29 g/mol
LogP-0.85
Rot. Bonds2

About (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide

(3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 90488125) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID90488125
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name(3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](CN(C)C)[C@H](N)C1
InChIInChI=1S/C9H20N4O/c1-11-9(14)13-5-7(4-12(2)3)8(10)6-13/h7-8H,4-6,10H2,1-3H3,(H,11,14)/t7-,8-/m1/s1
InChIKeyYVGJNUPLERBLQH-HTQZYQBOSA-N
XLogP-0.85
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide (CID 90488125) is (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1C[C@@H](CN(C)C)[C@H](N)C1.
What is the InChIKey of (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is YVGJNUPLERBLQH-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-9(14)13-5-7(4-12(2)3)8(10)6-13/h7-8H,4-6,10H2,1-3H3,(H,11,14)/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide?
(3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 200.29 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 90488125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).