3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid

C13H24N2O3 — CID 83220057

IUPAC3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCCC1CCC(C)N1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-10-7-6-9(2)15(10)12(18)14-13(3,4)8-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyLOFQJNVRFBXXIQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds4

About 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid

3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 83220057) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
PubChem CID83220057
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCCC1CCC(C)N1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-5-10-7-6-9(2)15(10)12(18)14-13(3,4)8-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyLOFQJNVRFBXXIQ-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid (CID 83220057) is 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid is CCC1CCC(C)N1C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is LOFQJNVRFBXXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-10-7-6-9(2)15(10)12(18)14-13(3,4)8-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid?
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 83220057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).