butyl 3-[ethyl(methyl)amino]propanoate

C10H21NO2 — CID 20769162

IUPACbutyl 3-[ethyl(methyl)amino]propanoate
SMILESCCCCOC(=O)CCN(C)CC
InChIInChI=1S/C10H21NO2/c1-4-6-9-13-10(12)7-8-11(3)5-2/h4-9H2,1-3H3
InChIKeyFZWPEJXNUWKCPV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About butyl 3-[ethyl(methyl)amino]propanoate

butyl 3-[ethyl(methyl)amino]propanoate (PubChem CID 20769162) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is butyl 3-[ethyl(methyl)amino]propanoate.

Molecular Properties

Compound Namebutyl 3-[ethyl(methyl)amino]propanoate
PubChem CID20769162
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namebutyl 3-[ethyl(methyl)amino]propanoate
SMILESCCCCOC(=O)CCN(C)CC
InChIInChI=1S/C10H21NO2/c1-4-6-9-13-10(12)7-8-11(3)5-2/h4-9H2,1-3H3
InChIKeyFZWPEJXNUWKCPV-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
butyl 4-(dimethylamino)butanoate
CID 89434908
tridecyl 3-[2-[bis[2-[methyl-(3-oxo-3-tridecoxypropyl)amino]ethyl]amino]ethyl-methylamino]propanoate
CID 73389311
dodecyl 3-(dimethylamino)propanoate
CID 11483031
2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl 3-[2-[[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
CID 168851307
tetradecyl 3-[3-[3-[bis(3-oxo-3-tetradecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 73389645
tridecyl 3-[3-[3-[bis(3-oxo-3-tridecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 73389555
2-[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoyloxy]ethyl 3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoate
CID 168851388
dibutyl heptadecanedioate
CID 87117348
2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
CID 89304137
butyl dodecanoate;stannane
CID 173127459
1-O-butyl 4-O-heptyl butanedioate
CID 91701655

Frequently Asked Questions

What is the IUPAC name of butyl 3-[ethyl(methyl)amino]propanoate?
The IUPAC name of butyl 3-[ethyl(methyl)amino]propanoate (CID 20769162) is butyl 3-[ethyl(methyl)amino]propanoate.
What is the SMILES notation for butyl 3-[ethyl(methyl)amino]propanoate?
The canonical SMILES for butyl 3-[ethyl(methyl)amino]propanoate is CCCCOC(=O)CCN(C)CC.
What is the InChIKey of butyl 3-[ethyl(methyl)amino]propanoate?
The InChIKey is FZWPEJXNUWKCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-9-13-10(12)7-8-11(3)5-2/h4-9H2,1-3H3.
What are the key properties of butyl 3-[ethyl(methyl)amino]propanoate?
butyl 3-[ethyl(methyl)amino]propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[ethyl(methyl)amino]propanoate is sourced from PubChem (CID 20769162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).