(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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Related Compounds

(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
CID 141217799
(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid
CID 59493635
(2S)-4-hydroxy-2-(7-oxoheptanoylamino)butanoic acid
CID 91574406
2-(18-oxooctadecanoylamino)pentanoic acid
CID 123209154
(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983
cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 59880557
N-cyclohexylcyclohexanamine;(2R)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 122173545
(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid
CID 58473863
2-(18-oxooctadecanoylamino)propanedioic acid
CID 156679232
cyclopentyl N-[(2S)-1-oxo-1-(3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)non-8-en-2-yl]carbamate;(2S)-2-(cyclopentyloxycarbonylamino)non-8-enoic acid;2-oxa-5-azoniabicyclo[2.2.1]heptan-3-one;2,4,6-trimethylphenolate
CID 161399774
5-(1-carboxyethylamino)-5-oxo-2-[[4-[(20-oxoicosanoylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 170097537
6-cyclopentyloxyhexanal
CID 129416066

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).