ethyl 2-(3-methylheptan-3-ylamino)acetate

C12H25NO2 — CID 130356182

IUPACethyl 2-(3-methylheptan-3-ylamino)acetate
SMILESCCCCC(C)(CC)NCC(=O)OCC
InChIInChI=1S/C12H25NO2/c1-5-8-9-12(4,6-2)13-10-11(14)15-7-3/h13H,5-10H2,1-4H3
InChIKeyYGVZSVPKMGIVDY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds8

About ethyl 2-(3-methylheptan-3-ylamino)acetate

ethyl 2-(3-methylheptan-3-ylamino)acetate (PubChem CID 130356182) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 2-(3-methylheptan-3-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methylheptan-3-ylamino)acetate
PubChem CID130356182
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 2-(3-methylheptan-3-ylamino)acetate
SMILESCCCCC(C)(CC)NCC(=O)OCC
InChIInChI=1S/C12H25NO2/c1-5-8-9-12(4,6-2)13-10-11(14)15-7-3/h13H,5-10H2,1-4H3
InChIKeyYGVZSVPKMGIVDY-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10035079
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CID 338208
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CID 21738412
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CID 566709
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CID 588314
CID 588314
CID 581828
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CID 12383923
CID 12383923
CID 13145542
CID 13145542
CID 13388952
CID 13388952
CID 14947016
CID 14947016
CID 18347838
CID 18347838
CID 21625319
CID 21625319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylheptan-3-ylamino)acetate?
The IUPAC name of ethyl 2-(3-methylheptan-3-ylamino)acetate (CID 130356182) is ethyl 2-(3-methylheptan-3-ylamino)acetate.
What is the SMILES notation for ethyl 2-(3-methylheptan-3-ylamino)acetate?
The canonical SMILES for ethyl 2-(3-methylheptan-3-ylamino)acetate is CCCCC(C)(CC)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(3-methylheptan-3-ylamino)acetate?
The InChIKey is YGVZSVPKMGIVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-8-9-12(4,6-2)13-10-11(14)15-7-3/h13H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(3-methylheptan-3-ylamino)acetate?
ethyl 2-(3-methylheptan-3-ylamino)acetate has a molecular weight of 215.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylheptan-3-ylamino)acetate is sourced from PubChem (CID 130356182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).