(2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide

C8H17N3O — CID 58092781

IUPAC(2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C[C@@H]1CCN[C@@H]1C(N)=O
InChIInChI=1S/C8H17N3O/c1-11(2)5-6-3-4-10-7(6)8(9)12/h6-7,10H,3-5H2,1-2H3,(H2,9,12)/t6-,7-/m0/s1
InChIKeyHBPLTUYZURTTOH-BQBZGAKWSA-N
MW171.24 g/mol
LogP-0.99
Rot. Bonds3

About (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide

(2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide (PubChem CID 58092781) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide
PubChem CID58092781
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C[C@@H]1CCN[C@@H]1C(N)=O
InChIInChI=1S/C8H17N3O/c1-11(2)5-6-3-4-10-7(6)8(9)12/h6-7,10H,3-5H2,1-2H3,(H2,9,12)/t6-,7-/m0/s1
InChIKeyHBPLTUYZURTTOH-BQBZGAKWSA-N
XLogP-0.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-methoxypyrrolidine-2-carboxamide
CID 58204442
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
CID 170906116
methyl 2-[(dimethylamino)methyl]cyclohexane-1-carboxylate
CID 145395402
1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;ethane
CID 156727541
trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 145395448
methyl (2S,3R)-3-aminopyrrolidine-2-carboxylate
CID 45090024
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
methyl 3-aminopyrrolidine-2-carboxylate
CID 75089215
methyl (2S)-3-aminopyrrolidine-2-carboxylate
CID 141294967

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide (CID 58092781) is (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide is CN(C)C[C@@H]1CCN[C@@H]1C(N)=O.
What is the InChIKey of (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide?
The InChIKey is HBPLTUYZURTTOH-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(2)5-6-3-4-10-7(6)8(9)12/h6-7,10H,3-5H2,1-2H3,(H2,9,12)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide?
(2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[(dimethylamino)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58092781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).