ethyl 2-(propylamino)butanoate

C9H19NO2 — CID 60795885

IUPACethyl 2-(propylamino)butanoate
SMILESCCCNC(CC)C(=O)OCC
InChIInChI=1S/C9H19NO2/c1-4-7-10-8(5-2)9(11)12-6-3/h8,10H,4-7H2,1-3H3
InChIKeyXOKVXRFFHLNRER-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds6

About ethyl 2-(propylamino)butanoate

ethyl 2-(propylamino)butanoate (PubChem CID 60795885) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(propylamino)butanoate
PubChem CID60795885
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-(propylamino)butanoate
SMILESCCCNC(CC)C(=O)OCC
InChIInChI=1S/C9H19NO2/c1-4-7-10-8(5-2)9(11)12-6-3/h8,10H,4-7H2,1-3H3
InChIKeyXOKVXRFFHLNRER-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
ethyl 2-(2-ethoxyethylamino)butanoate
CID 64668942
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 2-[(5-amino-5-oxopentyl)amino]butanoate
CID 106237052
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 2-(phosphanylamino)butanoate
CID 89105110
ethyl (2R)-2-[2-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]ethylamino]-3-sulfanylpropanoate;technetium-99
CID 23650814
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
ethyl 3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755655
ethyl 2-(3-methylbut-2-enylamino)butanoate
CID 106188404
ethyl 3-pentylsulfanyl-2-(propylamino)propanoate
CID 107755402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propylamino)butanoate?
The IUPAC name of ethyl 2-(propylamino)butanoate (CID 60795885) is ethyl 2-(propylamino)butanoate.
What is the SMILES notation for ethyl 2-(propylamino)butanoate?
The canonical SMILES for ethyl 2-(propylamino)butanoate is CCCNC(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(propylamino)butanoate?
The InChIKey is XOKVXRFFHLNRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7-10-8(5-2)9(11)12-6-3/h8,10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(propylamino)butanoate?
ethyl 2-(propylamino)butanoate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylamino)butanoate is sourced from PubChem (CID 60795885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).