ethyl 2-(pent-4-en-2-ylamino)pentanoate

C12H23NO2 — CID 115663777

IUPACethyl 2-(pent-4-en-2-ylamino)pentanoate
SMILESC=CCC(C)NC(CCC)C(=O)OCC
InChIInChI=1S/C12H23NO2/c1-5-8-10(4)13-11(9-6-2)12(14)15-7-3/h5,10-11,13H,1,6-9H2,2-4H3
InChIKeyLYMOJZIVVFJTPU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds8

About ethyl 2-(pent-4-en-2-ylamino)pentanoate

ethyl 2-(pent-4-en-2-ylamino)pentanoate (PubChem CID 115663777) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(pent-4-en-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(pent-4-en-2-ylamino)pentanoate
PubChem CID115663777
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(pent-4-en-2-ylamino)pentanoate
SMILESC=CCC(C)NC(CCC)C(=O)OCC
InChIInChI=1S/C12H23NO2/c1-5-8-10(4)13-11(9-6-2)12(14)15-7-3/h5,10-11,13H,1,6-9H2,2-4H3
InChIKeyLYMOJZIVVFJTPU-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
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

ethyl 2-(6-methylheptan-2-ylamino)pentanoate
CID 83041097
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
CID 59838569
ethyl 2-[(1-chloro-1-oxopropan-2-yl)amino]pentanoate
CID 58903047
2-amino-N-pent-4-en-2-ylpentanamide
CID 115734589
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
ethyl 3,3-dimethyl-2-(pent-4-en-2-ylcarbamoyl)butanoate
CID 116538291
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanoate
CID 83041514
butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422
ethyl 2-(phosphanylamino)pentanoate
CID 59113606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pent-4-en-2-ylamino)pentanoate?
The IUPAC name of ethyl 2-(pent-4-en-2-ylamino)pentanoate (CID 115663777) is ethyl 2-(pent-4-en-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-(pent-4-en-2-ylamino)pentanoate?
The canonical SMILES for ethyl 2-(pent-4-en-2-ylamino)pentanoate is C=CCC(C)NC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(pent-4-en-2-ylamino)pentanoate?
The InChIKey is LYMOJZIVVFJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-8-10(4)13-11(9-6-2)12(14)15-7-3/h5,10-11,13H,1,6-9H2,2-4H3.
What are the key properties of ethyl 2-(pent-4-en-2-ylamino)pentanoate?
ethyl 2-(pent-4-en-2-ylamino)pentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pent-4-en-2-ylamino)pentanoate is sourced from PubChem (CID 115663777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).