1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C15H27N3O3 — CID 106983873

IUPAC1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)N2CCC(N(C)C)C2)C1
InChIInChI=1S/C15H27N3O3/c1-11(2)15(13(19)20)6-8-18(10-15)14(21)17-7-5-12(9-17)16(3)4/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyVMSNAHUJRWCRPX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.17
Rot. Bonds3

About 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983873) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983873
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)N2CCC(N(C)C)C2)C1
InChIInChI=1S/C15H27N3O3/c1-11(2)15(13(19)20)6-8-18(10-15)14(21)17-7-5-12(9-17)16(3)4/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyVMSNAHUJRWCRPX-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983873) is 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)N2CCC(N(C)C)C2)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is VMSNAHUJRWCRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(2)15(13(19)20)6-8-18(10-15)14(21)17-7-5-12(9-17)16(3)4/h11-12H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).