octan-2-yl 2-(1-aminocyclopentyl)acetate

C15H29NO2 — CID 64700419

IUPACoctan-2-yl 2-(1-aminocyclopentyl)acetate
SMILESCCCCCCC(C)OC(=O)CC1(N)CCCC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-9-13(2)18-14(17)12-15(16)10-7-8-11-15/h13H,3-12,16H2,1-2H3
InChIKeyZZHNALDCXPVHRC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.55
Rot. Bonds8

About octan-2-yl 2-(1-aminocyclopentyl)acetate

octan-2-yl 2-(1-aminocyclopentyl)acetate (PubChem CID 64700419) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is octan-2-yl 2-(1-aminocyclopentyl)acetate.

Molecular Properties

Compound Nameoctan-2-yl 2-(1-aminocyclopentyl)acetate
PubChem CID64700419
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameoctan-2-yl 2-(1-aminocyclopentyl)acetate
SMILESCCCCCCC(C)OC(=O)CC1(N)CCCC1
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-9-13(2)18-14(17)12-15(16)10-7-8-11-15/h13H,3-12,16H2,1-2H3
InChIKeyZZHNALDCXPVHRC-UHFFFAOYSA-N
XLogP3.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.55
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

butan-2-yl 2-(1-aminocyclopentyl)acetate
CID 64701975
4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
CID 79845276
[(2S)-dodecan-2-yl] propanoate
CID 162853259
hexadecan-2-yl propanoate
CID 154494346
octan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451042
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
dioctan-2-yl pentanedioate
CID 71404705
heptadecan-2-yl tetradecanoate
CID 54293612
nonan-2-yl butanoate
CID 551252

Frequently Asked Questions

What is the IUPAC name of octan-2-yl 2-(1-aminocyclopentyl)acetate?
The IUPAC name of octan-2-yl 2-(1-aminocyclopentyl)acetate (CID 64700419) is octan-2-yl 2-(1-aminocyclopentyl)acetate.
What is the SMILES notation for octan-2-yl 2-(1-aminocyclopentyl)acetate?
The canonical SMILES for octan-2-yl 2-(1-aminocyclopentyl)acetate is CCCCCCC(C)OC(=O)CC1(N)CCCC1.
What is the InChIKey of octan-2-yl 2-(1-aminocyclopentyl)acetate?
The InChIKey is ZZHNALDCXPVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-9-13(2)18-14(17)12-15(16)10-7-8-11-15/h13H,3-12,16H2,1-2H3.
What are the key properties of octan-2-yl 2-(1-aminocyclopentyl)acetate?
octan-2-yl 2-(1-aminocyclopentyl)acetate has a molecular weight of 255.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yl 2-(1-aminocyclopentyl)acetate is sourced from PubChem (CID 64700419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).