2-(ethylamino)propyl propanoate

C8H17NO2 — CID 153018782

IUPAC2-(ethylamino)propyl propanoate
SMILESCCNC(C)COC(=O)CC
InChIInChI=1S/C8H17NO2/c1-4-8(10)11-6-7(3)9-5-2/h7,9H,4-6H2,1-3H3
InChIKeyVBMZAMQYOQDEDO-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds5

About 2-(ethylamino)propyl propanoate

2-(ethylamino)propyl propanoate (PubChem CID 153018782) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(ethylamino)propyl propanoate.

Molecular Properties

Compound Name2-(ethylamino)propyl propanoate
PubChem CID153018782
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(ethylamino)propyl propanoate
SMILESCCNC(C)COC(=O)CC
InChIInChI=1S/C8H17NO2/c1-4-8(10)11-6-7(3)9-5-2/h7,9H,4-6H2,1-3H3
InChIKeyVBMZAMQYOQDEDO-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)propyl prop-2-enoate
CID 57196832
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
(2-methyl-3-oxobutyl) propanoate
CID 87670763
(3-hydroxy-2-methylbutyl) propanoate
CID 54448518
3-(ethylamino)butanamide
CID 18792210
(2-hydroxy-2-sulfanylethyl) propanoate
CID 87972753
methyl 3,4-di(propanoyloxy)butanoate
CID 139957469
3-methylbutyl 3-(ethylamino)butanoate
CID 62828197
2-methylpropyl 3,4-di(propanoyloxy)butanoate
CID 139957342
2-cyanopropyl propanoate
CID 126994397
2-methylhexyl propanoate
CID 14933483
2-(ethylamino)propyl hydrogen sulfate
CID 123389087

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)propyl propanoate?
The IUPAC name of 2-(ethylamino)propyl propanoate (CID 153018782) is 2-(ethylamino)propyl propanoate.
What is the SMILES notation for 2-(ethylamino)propyl propanoate?
The canonical SMILES for 2-(ethylamino)propyl propanoate is CCNC(C)COC(=O)CC.
What is the InChIKey of 2-(ethylamino)propyl propanoate?
The InChIKey is VBMZAMQYOQDEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(10)11-6-7(3)9-5-2/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(ethylamino)propyl propanoate?
2-(ethylamino)propyl propanoate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)propyl propanoate is sourced from PubChem (CID 153018782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).