2-methylpentyl 2-(butan-2-ylamino)acetate

C12H25NO2 — CID 103284244

IUPAC2-methylpentyl 2-(butan-2-ylamino)acetate
SMILESCCCC(C)COC(=O)CNC(C)CC
InChIInChI=1S/C12H25NO2/c1-5-7-10(3)9-15-12(14)8-13-11(4)6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyOCRJFYOXJPYCIW-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds8

About 2-methylpentyl 2-(butan-2-ylamino)acetate

2-methylpentyl 2-(butan-2-ylamino)acetate (PubChem CID 103284244) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methylpentyl 2-(butan-2-ylamino)acetate.

Molecular Properties

Compound Name2-methylpentyl 2-(butan-2-ylamino)acetate
PubChem CID103284244
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methylpentyl 2-(butan-2-ylamino)acetate
SMILESCCCC(C)COC(=O)CNC(C)CC
InChIInChI=1S/C12H25NO2/c1-5-7-10(3)9-15-12(14)8-13-11(4)6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyOCRJFYOXJPYCIW-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693
bis(2-methylpentyl) heptanedioate
CID 91718408
2-(2-methylpentoxy)-2-oxoethanesulfinate
CID 91200813
2-methylpentyl carbonofluoridate
CID 175528242
2-methylpentyl 2-aminopropanoate
CID 103284268
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
5-O-(2-methylpentyl) 1-O-propyl pentanedioate
CID 91708244
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
2-methylhexyl propanoate
CID 14933483
N-[2-(2-methylpentoxy)propyl]butan-2-amine
CID 103285813
2-methylpentyl 6-amino-4,4-dimethylhexanoate
CID 103284096

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-(butan-2-ylamino)acetate?
The IUPAC name of 2-methylpentyl 2-(butan-2-ylamino)acetate (CID 103284244) is 2-methylpentyl 2-(butan-2-ylamino)acetate.
What is the SMILES notation for 2-methylpentyl 2-(butan-2-ylamino)acetate?
The canonical SMILES for 2-methylpentyl 2-(butan-2-ylamino)acetate is CCCC(C)COC(=O)CNC(C)CC.
What is the InChIKey of 2-methylpentyl 2-(butan-2-ylamino)acetate?
The InChIKey is OCRJFYOXJPYCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-10(3)9-15-12(14)8-13-11(4)6-2/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-methylpentyl 2-(butan-2-ylamino)acetate?
2-methylpentyl 2-(butan-2-ylamino)acetate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-(butan-2-ylamino)acetate is sourced from PubChem (CID 103284244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).