dimethylamino 1-aminopyrrolidine-2-carboxylate

C7H15N3O2 — CID 140504713

IUPACdimethylamino 1-aminopyrrolidine-2-carboxylate
SMILESCN(C)OC(=O)C1CCCN1N
InChIInChI=1S/C7H15N3O2/c1-9(2)12-7(11)6-4-3-5-10(6)8/h6H,3-5,8H2,1-2H3
InChIKeySFQUGAPJTARTPW-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.66
Rot. Bonds2

About dimethylamino 1-aminopyrrolidine-2-carboxylate

dimethylamino 1-aminopyrrolidine-2-carboxylate (PubChem CID 140504713) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is dimethylamino 1-aminopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedimethylamino 1-aminopyrrolidine-2-carboxylate
PubChem CID140504713
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Namedimethylamino 1-aminopyrrolidine-2-carboxylate
SMILESCN(C)OC(=O)C1CCCN1N
InChIInChI=1S/C7H15N3O2/c1-9(2)12-7(11)6-4-3-5-10(6)8/h6H,3-5,8H2,1-2H3
InChIKeySFQUGAPJTARTPW-UHFFFAOYSA-N
XLogP-0.66
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
dimethylamino cyclopropanecarboxylate
CID 87328371
(2R)-1-aminopiperidine-2-carboxylic acid
CID 92556917
1-aminopyrrolidin-2-ol
CID 54293599
3-(1-aminopyrrolidin-2-yl)-2,2-dimethyl-3-oxopropanal
CID 87618431
1-(1-aminopiperidin-2-yl)propan-1-one
CID 57118405
tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005721
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666

Frequently Asked Questions

What is the IUPAC name of dimethylamino 1-aminopyrrolidine-2-carboxylate?
The IUPAC name of dimethylamino 1-aminopyrrolidine-2-carboxylate (CID 140504713) is dimethylamino 1-aminopyrrolidine-2-carboxylate.
What is the SMILES notation for dimethylamino 1-aminopyrrolidine-2-carboxylate?
The canonical SMILES for dimethylamino 1-aminopyrrolidine-2-carboxylate is CN(C)OC(=O)C1CCCN1N.
What is the InChIKey of dimethylamino 1-aminopyrrolidine-2-carboxylate?
The InChIKey is SFQUGAPJTARTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9(2)12-7(11)6-4-3-5-10(6)8/h6H,3-5,8H2,1-2H3.
What are the key properties of dimethylamino 1-aminopyrrolidine-2-carboxylate?
dimethylamino 1-aminopyrrolidine-2-carboxylate has a molecular weight of 173.22 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 1-aminopyrrolidine-2-carboxylate is sourced from PubChem (CID 140504713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).