5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

C11H20N2O5 — CID 106670569

IUPAC5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C11H20N2O5/c1-7(2-3-10(16)17)4-12-11(18)13-5-8(14)9(15)6-13/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyNAJJMGWGEGSNMQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.77
Rot. Bonds5

About 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 106670569) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID106670569
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C11H20N2O5/c1-7(2-3-10(16)17)4-12-11(18)13-5-8(14)9(15)6-13/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17)
InChIKeyNAJJMGWGEGSNMQ-UHFFFAOYSA-N
XLogP-0.77
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 106670569) is 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N1CC(O)C(O)C1.
What is the InChIKey of 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is NAJJMGWGEGSNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(2-3-10(16)17)4-12-11(18)13-5-8(14)9(15)6-13/h7-9,14-15H,2-6H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 106670569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).