(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid

C15H25NO5 — CID 141217809

IUPAC(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
SMILESO=CCCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c17-11-7-3-1-2-4-10-13(14(18)19)16-15(20)21-12-8-5-6-9-12/h11-13H,1-10H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyBPKWXPLRPSKIAX-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.65
Rot. Bonds10

About (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid

(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid (PubChem CID 141217809) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
PubChem CID141217809
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
SMILESO=CCCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIInChI=1S/C15H25NO5/c17-11-7-3-1-2-4-10-13(14(18)19)16-15(20)21-12-8-5-6-9-12/h11-13H,1-10H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyBPKWXPLRPSKIAX-ZDUSSCGKSA-N
XLogP2.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
The IUPAC name of (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid (CID 141217809) is (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid.
What is the SMILES notation for (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
The canonical SMILES for (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid is O=CCCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
The InChIKey is BPKWXPLRPSKIAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO5/c17-11-7-3-1-2-4-10-13(14(18)19)16-15(20)21-12-8-5-6-9-12/h11-13H,1-10H2,(H,16,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid?
(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid is sourced from PubChem (CID 141217809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).