octan-2-yl 2-(cyclopentylamino)acetate

C15H29NO2 — CID 61303088

IUPACoctan-2-yl 2-(cyclopentylamino)acetate
SMILESCCCCCCC(C)OC(=O)CNC1CCCC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-9-13(2)18-15(17)12-16-14-10-7-8-11-14/h13-14,16H,3-12H2,1-2H3
InChIKeyORYAUXAJVNXEPH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.42
Rot. Bonds9

About octan-2-yl 2-(cyclopentylamino)acetate

octan-2-yl 2-(cyclopentylamino)acetate (PubChem CID 61303088) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is octan-2-yl 2-(cyclopentylamino)acetate.

Molecular Properties

Compound Nameoctan-2-yl 2-(cyclopentylamino)acetate
PubChem CID61303088
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameoctan-2-yl 2-(cyclopentylamino)acetate
SMILESCCCCCCC(C)OC(=O)CNC1CCCC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-9-13(2)18-15(17)12-16-14-10-7-8-11-14/h13-14,16H,3-12H2,1-2H3
InChIKeyORYAUXAJVNXEPH-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxypropan-2-yl 2-(cyclopentylamino)acetate
CID 103489239
tridecan-2-yl 2-formamidoacetate
CID 76594869
[(2S)-dodecan-2-yl] propanoate
CID 162853259
hexadecan-2-yl propanoate
CID 154494346
octan-2-yl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107436983
2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
CID 23266850
dioctan-2-yl pentanedioate
CID 71404705
heptadecan-2-yl tetradecanoate
CID 54293612
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
nonan-2-yl butanoate
CID 551252
nonan-2-yl undecanoate
CID 87368690

Frequently Asked Questions

What is the IUPAC name of octan-2-yl 2-(cyclopentylamino)acetate?
The IUPAC name of octan-2-yl 2-(cyclopentylamino)acetate (CID 61303088) is octan-2-yl 2-(cyclopentylamino)acetate.
What is the SMILES notation for octan-2-yl 2-(cyclopentylamino)acetate?
The canonical SMILES for octan-2-yl 2-(cyclopentylamino)acetate is CCCCCCC(C)OC(=O)CNC1CCCC1.
What is the InChIKey of octan-2-yl 2-(cyclopentylamino)acetate?
The InChIKey is ORYAUXAJVNXEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-9-13(2)18-15(17)12-16-14-10-7-8-11-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of octan-2-yl 2-(cyclopentylamino)acetate?
octan-2-yl 2-(cyclopentylamino)acetate has a molecular weight of 255.40 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yl 2-(cyclopentylamino)acetate is sourced from PubChem (CID 61303088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).