(2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid

C15H25NO4 — CID 11961640

IUPAC(2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid
SMILESC=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-6-11-13(14(17)18)16-15(19)20-12-9-7-8-10-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyUIXRDZUPPXINBQ-ZDUSSCGKSA-N
MW283.37 g/mol
LogP3.24
Rot. Bonds9

About (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid

(2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid (PubChem CID 11961640) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid
PubChem CID11961640
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid
SMILESC=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-6-11-13(14(17)18)16-15(19)20-12-9-7-8-10-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyUIXRDZUPPXINBQ-ZDUSSCGKSA-N
XLogP3.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid?
The IUPAC name of (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid (CID 11961640) is (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid.
What is the SMILES notation for (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid?
The canonical SMILES for (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid is C=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid?
The InChIKey is UIXRDZUPPXINBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-3-4-5-6-11-13(14(17)18)16-15(19)20-12-9-7-8-10-12/h2,12-13H,1,3-11H2,(H,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid?
(2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid is sourced from PubChem (CID 11961640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).