6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid

C15H26N2O4 — CID 43352953

IUPAC6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c18-13(16-10-5-1-2-8-14(19)20)9-11-17-15(21)12-6-3-4-7-12/h12H,1-11H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeySHNAKYGGUUJIIT-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.44
Rot. Bonds10

About 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid

6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid (PubChem CID 43352953) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid
PubChem CID43352953
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c18-13(16-10-5-1-2-8-14(19)20)9-11-17-15(21)12-6-3-4-7-12/h12H,1-11H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeySHNAKYGGUUJIIT-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
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-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid?
The IUPAC name of 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid (CID 43352953) is 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid?
The InChIKey is SHNAKYGGUUJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-13(16-10-5-1-2-8-14(19)20)9-11-17-15(21)12-6-3-4-7-12/h12H,1-11H2,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid?
6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclopentanecarbonylamino)propanoylamino]hexanoic acid is sourced from PubChem (CID 43352953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).