(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid

C13H22N2O5 — CID 107567313

IUPAC(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CC(C)C(C(=O)OC)C1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-5-10(11(16)17)14-13(19)15-6-8(2)9(7-15)12(18)20-3/h8-10H,4-7H2,1-3H3,(H,14,19)(H,16,17)/t8?,9?,10-/m1/s1
InChIKeyHJLYFGMIFRCIBX-UDNWOFFPSA-N
MW286.33 g/mol
LogP0.69
Rot. Bonds5

About (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid

(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107567313) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
PubChem CID107567313
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CC(C)C(C(=O)OC)C1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-5-10(11(16)17)14-13(19)15-6-8(2)9(7-15)12(18)20-3/h8-10H,4-7H2,1-3H3,(H,14,19)(H,16,17)/t8?,9?,10-/m1/s1
InChIKeyHJLYFGMIFRCIBX-UDNWOFFPSA-N
XLogP0.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid (CID 107567313) is (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)N1CC(C)C(C(=O)OC)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is HJLYFGMIFRCIBX-UDNWOFFPSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-5-10(11(16)17)14-13(19)15-6-8(2)9(7-15)12(18)20-3/h8-10H,4-7H2,1-3H3,(H,14,19)(H,16,17)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid?
(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107567313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).