methyl 2-(cyclopentylamino)nonanoate

C15H29NO2 — CID 54894298

IUPACmethyl 2-(cyclopentylamino)nonanoate
SMILESCCCCCCCC(NC1CCCC1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-12-14(15(17)18-2)16-13-10-8-9-11-13/h13-14,16H,3-12H2,1-2H3
InChIKeyKRCZLMIXQFBFLP-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.42
Rot. Bonds9

About methyl 2-(cyclopentylamino)nonanoate

methyl 2-(cyclopentylamino)nonanoate (PubChem CID 54894298) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)nonanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)nonanoate
PubChem CID54894298
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-(cyclopentylamino)nonanoate
SMILESCCCCCCCC(NC1CCCC1)C(=O)OC
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-12-14(15(17)18-2)16-13-10-8-9-11-13/h13-14,16H,3-12H2,1-2H3
InChIKeyKRCZLMIXQFBFLP-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

ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
2-(cyclohexylamino)octanamide
CID 54893908
2-(cyclohexylamino)heptanoic acid
CID 60998800
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-(cycloheptylamino)-5-methylsulfanylpentanoate
CID 103089357
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
methyl 2-[(1,1-dioxothian-3-yl)amino]hexanoate
CID 103251392
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate
CID 103868518
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
2-(cyclopropylamino)heptanoic acid
CID 43754511
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)nonanoate?
The IUPAC name of methyl 2-(cyclopentylamino)nonanoate (CID 54894298) is methyl 2-(cyclopentylamino)nonanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)nonanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)nonanoate is CCCCCCCC(NC1CCCC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopentylamino)nonanoate?
The InChIKey is KRCZLMIXQFBFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-7-12-14(15(17)18-2)16-13-10-8-9-11-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of methyl 2-(cyclopentylamino)nonanoate?
methyl 2-(cyclopentylamino)nonanoate 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 methyl 2-(cyclopentylamino)nonanoate is sourced from PubChem (CID 54894298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).