2-methylpentyl 2-amino-3-methylpentanoate

C12H25NO2 — CID 103284350

IUPAC2-methylpentyl 2-amino-3-methylpentanoate
SMILESCCCC(C)COC(=O)C(N)C(C)CC
InChIInChI=1S/C12H25NO2/c1-5-7-9(3)8-15-12(14)11(13)10(4)6-2/h9-11H,5-8,13H2,1-4H3
InChIKeyUTHHSWJWKDICSN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.34
Rot. Bonds7

About 2-methylpentyl 2-amino-3-methylpentanoate

2-methylpentyl 2-amino-3-methylpentanoate (PubChem CID 103284350) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methylpentyl 2-amino-3-methylpentanoate.

Molecular Properties

Compound Name2-methylpentyl 2-amino-3-methylpentanoate
PubChem CID103284350
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methylpentyl 2-amino-3-methylpentanoate
SMILESCCCC(C)COC(=O)C(N)C(C)CC
InChIInChI=1S/C12H25NO2/c1-5-7-9(3)8-15-12(14)11(13)10(4)6-2/h9-11H,5-8,13H2,1-4H3
InChIKeyUTHHSWJWKDICSN-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpentyl 2-aminopropanoate
CID 103284268
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-methylpentyl carbonofluoridate
CID 175528242
1-(2-methylpentoxy)-1-oxopropane-2-sulfinic acid
CID 91216375
3-methylbutyl (2S)-2-amino-3-methylpentanoate
CID 61279066
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
2-methylpentyl 2-amino-5-methoxypentanoate
CID 103284131
tetradecyl (2S,3R)-2-amino-3-methylpentanoate
CID 6451751
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-amino-3-methylpentanoate?
The IUPAC name of 2-methylpentyl 2-amino-3-methylpentanoate (CID 103284350) is 2-methylpentyl 2-amino-3-methylpentanoate.
What is the SMILES notation for 2-methylpentyl 2-amino-3-methylpentanoate?
The canonical SMILES for 2-methylpentyl 2-amino-3-methylpentanoate is CCCC(C)COC(=O)C(N)C(C)CC.
What is the InChIKey of 2-methylpentyl 2-amino-3-methylpentanoate?
The InChIKey is UTHHSWJWKDICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-9(3)8-15-12(14)11(13)10(4)6-2/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 2-methylpentyl 2-amino-3-methylpentanoate?
2-methylpentyl 2-amino-3-methylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-amino-3-methylpentanoate is sourced from PubChem (CID 103284350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).