6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid

C11H21N3O4 — CID 131750767

IUPAC6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESNCCCCC(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C11H21N3O4/c12-4-2-1-3-8(11(17)18)14-10(16)9-5-7(15)6-13-9/h7-9,13,15H,1-6,12H2,(H,14,16)(H,17,18)
InChIKeyBXAQOKHDAYJQPA-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.59
Rot. Bonds7

About 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid

6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid (PubChem CID 131750767) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid
PubChem CID131750767
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESNCCCCC(NC(=O)C1CC(O)CN1)C(=O)O
InChIInChI=1S/C11H21N3O4/c12-4-2-1-3-8(11(17)18)14-10(16)9-5-7(15)6-13-9/h7-9,13,15H,1-6,12H2,(H,14,16)(H,17,18)
InChIKeyBXAQOKHDAYJQPA-UHFFFAOYSA-N
XLogP-1.59
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid (CID 131750767) is 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid is NCCCCC(NC(=O)C1CC(O)CN1)C(=O)O.
What is the InChIKey of 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is BXAQOKHDAYJQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c12-4-2-1-3-8(11(17)18)14-10(16)9-5-7(15)6-13-9/h7-9,13,15H,1-6,12H2,(H,14,16)(H,17,18).
What are the key properties of 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid?
6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 259.31 g/mol, XLogP of -1.59, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 131750767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).