ethyl 2-(propylamino)pentanoate

C10H21NO2 — CID 21021838

IUPACethyl 2-(propylamino)pentanoate
SMILESCCCNC(CCC)C(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-7-9(11-8-5-2)10(12)13-6-3/h9,11H,4-8H2,1-3H3
InChIKeySFLCAPLWOIGHLA-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds7

About ethyl 2-(propylamino)pentanoate

ethyl 2-(propylamino)pentanoate (PubChem CID 21021838) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 2-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(propylamino)pentanoate
PubChem CID21021838
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 2-(propylamino)pentanoate
SMILESCCCNC(CCC)C(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-7-9(11-8-5-2)10(12)13-6-3/h9,11H,4-8H2,1-3H3
InChIKeySFLCAPLWOIGHLA-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 4-butylsulfanyl-2-(propylamino)butanoate
CID 63034100
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
ethyl 2-(5,5,5-trifluoropentylamino)pentanoate
CID 115496244
ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
CID 63055201

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propylamino)pentanoate?
The IUPAC name of ethyl 2-(propylamino)pentanoate (CID 21021838) is ethyl 2-(propylamino)pentanoate.
What is the SMILES notation for ethyl 2-(propylamino)pentanoate?
The canonical SMILES for ethyl 2-(propylamino)pentanoate is CCCNC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(propylamino)pentanoate?
The InChIKey is SFLCAPLWOIGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7-9(11-8-5-2)10(12)13-6-3/h9,11H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(propylamino)pentanoate?
ethyl 2-(propylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylamino)pentanoate is sourced from PubChem (CID 21021838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).