methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate

C13H23NO2 — CID 106173950

IUPACmethyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCCC1=CCCC1
InChIInChI=1S/C13H23NO2/c1-10(13(15)16-3)11(2)14-9-8-12-6-4-5-7-12/h6,10-11,14H,4-5,7-9H2,1-3H3
InChIKeyLWYFRVZNRLBRLG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds6

About methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate

methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate (PubChem CID 106173950) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
PubChem CID106173950
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCCC1=CCCC1
InChIInChI=1S/C13H23NO2/c1-10(13(15)16-3)11(2)14-9-8-12-6-4-5-7-12/h6,10-11,14H,4-5,7-9H2,1-3H3
InChIKeyLWYFRVZNRLBRLG-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
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

N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115704085
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
CID 115895860
methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate
CID 3551359
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
CID 103904492
2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide
CID 103843115
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
(2S)-1-[2-(cyclopenten-1-yl)ethylamino]propan-2-ol
CID 106174090
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-ethylhexanamide
CID 106175300
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide
CID 114153809
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate (CID 106173950) is methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate is COC(=O)C(C)C(C)NCCC1=CCCC1.
What is the InChIKey of methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate?
The InChIKey is LWYFRVZNRLBRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(13(15)16-3)11(2)14-9-8-12-6-4-5-7-12/h6,10-11,14H,4-5,7-9H2,1-3H3.
What are the key properties of methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate?
methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate has a molecular weight of 225.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate is sourced from PubChem (CID 106173950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).