3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid

C14H27N3O3 — CID 63548994

IUPAC3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC)C1CCN(C(=O)N(C)CC(C)C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-5-16(6-2)12-7-8-17(10-12)14(20)15(4)9-11(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyWWJJTMJQLRYBGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.17
Rot. Bonds6

About 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid

3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 63548994) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID63548994
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC)C1CCN(C(=O)N(C)CC(C)C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-5-16(6-2)12-7-8-17(10-12)14(20)15(4)9-11(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyWWJJTMJQLRYBGY-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid (CID 63548994) is 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid is CCN(CC)C1CCN(C(=O)N(C)CC(C)C(=O)O)C1.
What is the InChIKey of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is WWJJTMJQLRYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-16(6-2)12-7-8-17(10-12)14(20)15(4)9-11(3)13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid?
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 63548994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).