(2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde

C6H12N2O — CID 144704304

IUPAC(2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde
SMILESC[C@@]1(C=O)CCCN1N
InChIInChI=1S/C6H12N2O/c1-6(5-9)3-2-4-8(6)7/h5H,2-4,7H2,1H3/t6-/m0/s1
InChIKeyDWGIANFTXLTDQX-LURJTMIESA-N
MW128.17 g/mol
LogP-0.09
Rot. Bonds1

About (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde

(2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde (PubChem CID 144704304) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde
PubChem CID144704304
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde
SMILESC[C@@]1(C=O)CCCN1N
InChIInChI=1S/C6H12N2O/c1-6(5-9)3-2-4-8(6)7/h5H,2-4,7H2,1H3/t6-/m0/s1
InChIKeyDWGIANFTXLTDQX-LURJTMIESA-N
XLogP-0.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-propan-2-ylpyrrolidine-2-carbaldehyde
CID 15256959
(2S)-2-formyl-2-methylpyrrolidine-1-carboxylic acid
CID 87642357
1-aminocyclohexane-1-carbaldehyde;ethane
CID 145148133
1-aminocyclopentane-1-carbaldehyde;methanol
CID 142267207
1,2-bis(ethenyl)-2-methylpyrrolidine
CID 134972345
3-fluoro-3-methylpiperidin-1-amine
CID 118303158
(2R)-2-methylthiolane-2-carbaldehyde
CID 124596939
2-ethenyl-2-methyl-1-propan-2-ylpyrrolidine
CID 129119781
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433
formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
2-(4,4-dimethylazepan-1-yl)acetaldehyde
CID 65282481
(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid
CID 141351286

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde (CID 144704304) is (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde is C[C@@]1(C=O)CCCN1N.
What is the InChIKey of (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde?
The InChIKey is DWGIANFTXLTDQX-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(5-9)3-2-4-8(6)7/h5H,2-4,7H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde?
(2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde has a molecular weight of 128.17 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-methylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 144704304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).