methyl 3-[ethyl(pent-3-ynyl)amino]propanoate

C11H19NO2 — CID 104746316

IUPACmethyl 3-[ethyl(pent-3-ynyl)amino]propanoate
SMILESCC#CCCN(CC)CCC(=O)OC
InChIInChI=1S/C11H19NO2/c1-4-6-7-9-12(5-2)10-8-11(13)14-3/h5,7-10H2,1-3H3
InChIKeyRJPNRWKWNTUMTC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds6

About methyl 3-[ethyl(pent-3-ynyl)amino]propanoate

methyl 3-[ethyl(pent-3-ynyl)amino]propanoate (PubChem CID 104746316) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 3-[ethyl(pent-3-ynyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(pent-3-ynyl)amino]propanoate
PubChem CID104746316
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 3-[ethyl(pent-3-ynyl)amino]propanoate
SMILESCC#CCCN(CC)CCC(=O)OC
InChIInChI=1S/C11H19NO2/c1-4-6-7-9-12(5-2)10-8-11(13)14-3/h5,7-10H2,1-3H3
InChIKeyRJPNRWKWNTUMTC-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 2-[but-2-ynyl(ethyl)amino]acetate
CID 62309802
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate
CID 81090824
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90207709
hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate
CID 66337129
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(pent-3-ynyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(pent-3-ynyl)amino]propanoate (CID 104746316) is methyl 3-[ethyl(pent-3-ynyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(pent-3-ynyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(pent-3-ynyl)amino]propanoate is CC#CCCN(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl(pent-3-ynyl)amino]propanoate?
The InChIKey is RJPNRWKWNTUMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-6-7-9-12(5-2)10-8-11(13)14-3/h5,7-10H2,1-3H3.
What are the key properties of methyl 3-[ethyl(pent-3-ynyl)amino]propanoate?
methyl 3-[ethyl(pent-3-ynyl)amino]propanoate has a molecular weight of 197.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(pent-3-ynyl)amino]propanoate is sourced from PubChem (CID 104746316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).