hexyl 2-(cyclopentylamino)-2-oxoacetate

C13H23NO3 — CID 6421015

IUPAChexyl 2-(cyclopentylamino)-2-oxoacetate
SMILESCCCCCCOC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C13H23NO3/c1-2-3-4-7-10-17-13(16)12(15)14-11-8-5-6-9-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyYBORLGMPCNMQLR-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.17
Rot. Bonds6

About hexyl 2-(cyclopentylamino)-2-oxoacetate

hexyl 2-(cyclopentylamino)-2-oxoacetate (PubChem CID 6421015) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is hexyl 2-(cyclopentylamino)-2-oxoacetate.

Molecular Properties

Compound Namehexyl 2-(cyclopentylamino)-2-oxoacetate
PubChem CID6421015
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namehexyl 2-(cyclopentylamino)-2-oxoacetate
SMILESCCCCCCOC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C13H23NO3/c1-2-3-4-7-10-17-13(16)12(15)14-11-8-5-6-9-11/h11H,2-10H2,1H3,(H,14,15)
InChIKeyYBORLGMPCNMQLR-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
2-O-cyclohexyl 1-O-hexyl oxalate
CID 6421307
ditridecyl oxalate
CID 18377796
2-O-cyclobutyl 1-O-tridecyl oxalate
CID 6420623
hexyl 2-oxo-2-(propylamino)acetate
CID 6420423
nonyl cyclopentanecarboxylate
CID 575427
2-O-dodecyl 1-O-heptyl cyclohexane-1,2-dicarboxylate
CID 66983243
N-cyclohexyl-2,3-dimethyltridec-2-enamide
CID 57248492
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
octyl 2-amino-2-cyclohexylacetate
CID 63539863

Frequently Asked Questions

What is the IUPAC name of hexyl 2-(cyclopentylamino)-2-oxoacetate?
The IUPAC name of hexyl 2-(cyclopentylamino)-2-oxoacetate (CID 6421015) is hexyl 2-(cyclopentylamino)-2-oxoacetate.
What is the SMILES notation for hexyl 2-(cyclopentylamino)-2-oxoacetate?
The canonical SMILES for hexyl 2-(cyclopentylamino)-2-oxoacetate is CCCCCCOC(=O)C(=O)NC1CCCC1.
What is the InChIKey of hexyl 2-(cyclopentylamino)-2-oxoacetate?
The InChIKey is YBORLGMPCNMQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-7-10-17-13(16)12(15)14-11-8-5-6-9-11/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of hexyl 2-(cyclopentylamino)-2-oxoacetate?
hexyl 2-(cyclopentylamino)-2-oxoacetate has a molecular weight of 241.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(cyclopentylamino)-2-oxoacetate is sourced from PubChem (CID 6421015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).