ethyl 2-[[formyl(methyl)amino]methyl]pentanoate

C10H19NO3 — CID 59611373

IUPACethyl 2-[[formyl(methyl)amino]methyl]pentanoate
SMILESCCCC(CN(C)C=O)C(=O)OCC
InChIInChI=1S/C10H19NO3/c1-4-6-9(7-11(3)8-12)10(13)14-5-2/h8-9H,4-7H2,1-3H3
InChIKeyCLTSCBDJJDVOSO-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds7

About ethyl 2-[[formyl(methyl)amino]methyl]pentanoate

ethyl 2-[[formyl(methyl)amino]methyl]pentanoate (PubChem CID 59611373) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-[[formyl(methyl)amino]methyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[[formyl(methyl)amino]methyl]pentanoate
PubChem CID59611373
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-[[formyl(methyl)amino]methyl]pentanoate
SMILESCCCC(CN(C)C=O)C(=O)OCC
InChIInChI=1S/C10H19NO3/c1-4-6-9(7-11(3)8-12)10(13)14-5-2/h8-9H,4-7H2,1-3H3
InChIKeyCLTSCBDJJDVOSO-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;ethyl 2-propylpentanoate
CID 160741230
ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
ethyl 2-propyloct-5-enoate
CID 140550038
diethyl 2-propylbutanedioate;N-ethylethanamine
CID 174714247
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
N-ethoxy-2-propylpentanamide
CID 115532275
ethyl 2-propyl-5-sulfanylidenehexanoate
CID 174809419
2-propylpentanoyl 2-propylpentanoate
CID 10923624
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
ethyl 2-propyltetradec-5-enoate
CID 154049027
ethyl 2-propyloctadec-5-enoate
CID 91292288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[formyl(methyl)amino]methyl]pentanoate?
The IUPAC name of ethyl 2-[[formyl(methyl)amino]methyl]pentanoate (CID 59611373) is ethyl 2-[[formyl(methyl)amino]methyl]pentanoate.
What is the SMILES notation for ethyl 2-[[formyl(methyl)amino]methyl]pentanoate?
The canonical SMILES for ethyl 2-[[formyl(methyl)amino]methyl]pentanoate is CCCC(CN(C)C=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[[formyl(methyl)amino]methyl]pentanoate?
The InChIKey is CLTSCBDJJDVOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-6-9(7-11(3)8-12)10(13)14-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[[formyl(methyl)amino]methyl]pentanoate?
ethyl 2-[[formyl(methyl)amino]methyl]pentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[formyl(methyl)amino]methyl]pentanoate is sourced from PubChem (CID 59611373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).