methyl 2-(cyclopent-3-en-1-ylamino)hexanoate

C12H21NO2 — CID 103868518

IUPACmethyl 2-(cyclopent-3-en-1-ylamino)hexanoate
SMILESCCCCC(NC1CC=CC1)C(=O)OC
InChIInChI=1S/C12H21NO2/c1-3-4-9-11(12(14)15-2)13-10-7-5-6-8-10/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyKSRPVIVSHXSZGN-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds6

About methyl 2-(cyclopent-3-en-1-ylamino)hexanoate

methyl 2-(cyclopent-3-en-1-ylamino)hexanoate (PubChem CID 103868518) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-(cyclopent-3-en-1-ylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopent-3-en-1-ylamino)hexanoate
PubChem CID103868518
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-(cyclopent-3-en-1-ylamino)hexanoate
SMILESCCCCC(NC1CC=CC1)C(=O)OC
InChIInChI=1S/C12H21NO2/c1-3-4-9-11(12(14)15-2)13-10-7-5-6-8-10/h5-6,10-11,13H,3-4,7-9H2,1-2H3
InChIKeyKSRPVIVSHXSZGN-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-[(3-ethylcyclohexyl)amino]hexanoate
CID 103253767
methyl 2-[(1,1-dioxothian-3-yl)amino]hexanoate
CID 103251392
N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine
CID 115728475
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]hexanoate
CID 103254067
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl 2-[(2-ethylsulfanylcyclopentyl)amino]hexanoate
CID 114121731
methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
CID 103096963
methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate
CID 97308735
methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopent-3-en-1-ylamino)hexanoate?
The IUPAC name of methyl 2-(cyclopent-3-en-1-ylamino)hexanoate (CID 103868518) is methyl 2-(cyclopent-3-en-1-ylamino)hexanoate.
What is the SMILES notation for methyl 2-(cyclopent-3-en-1-ylamino)hexanoate?
The canonical SMILES for methyl 2-(cyclopent-3-en-1-ylamino)hexanoate is CCCCC(NC1CC=CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopent-3-en-1-ylamino)hexanoate?
The InChIKey is KSRPVIVSHXSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-9-11(12(14)15-2)13-10-7-5-6-8-10/h5-6,10-11,13H,3-4,7-9H2,1-2H3.
What are the key properties of methyl 2-(cyclopent-3-en-1-ylamino)hexanoate?
methyl 2-(cyclopent-3-en-1-ylamino)hexanoate has a molecular weight of 211.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopent-3-en-1-ylamino)hexanoate is sourced from PubChem (CID 103868518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).