6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid

C15H24N2O4 — CID 43352902

IUPAC6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H24N2O4/c18-13-8-12(10-17(13)9-11-5-6-11)15(21)16-7-3-1-2-4-14(19)20/h11-12H,1-10H2,(H,16,21)(H,19,20)
InChIKeyWHOHYYOCZZREGD-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.01
Rot. Bonds9

About 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid

6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid (PubChem CID 43352902) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
PubChem CID43352902
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H24N2O4/c18-13-8-12(10-17(13)9-11-5-6-11)15(21)16-7-3-1-2-4-14(19)20/h11-12H,1-10H2,(H,16,21)(H,19,20)
InChIKeyWHOHYYOCZZREGD-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid (CID 43352902) is 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The InChIKey is WHOHYYOCZZREGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-13-8-12(10-17(13)9-11-5-6-11)15(21)16-7-3-1-2-4-14(19)20/h11-12H,1-10H2,(H,16,21)(H,19,20).
What are the key properties of 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 43352902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).