1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide

C12H21N3O2 — CID 114172830

IUPAC1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-12(11(17)13-2)5-6-15(8-12)10(16)7-14-9-3-4-9/h9,14H,3-8H2,1-2H3,(H,13,17)
InChIKeyXCQANXBQLXGXQU-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds4

About 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 114172830) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID114172830
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-12(11(17)13-2)5-6-15(8-12)10(16)7-14-9-3-4-9/h9,14H,3-8H2,1-2H3,(H,13,17)
InChIKeyXCQANXBQLXGXQU-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
N,3-dimethyl-1-(2-piperidin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 106318342
2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 106317949
1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55164602
N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
CID 106318285
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide
CID 106318287
3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 106317948
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 114172830) is 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)CNC2CC2)C1.
What is the InChIKey of 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XCQANXBQLXGXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(11(17)13-2)5-6-15(8-12)10(16)7-14-9-3-4-9/h9,14H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114172830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).