2-methylpentyl 3-amino-3-cyclopropylpropanoate

C12H23NO2 — CID 103284230

IUPAC2-methylpentyl 3-amino-3-cyclopropylpropanoate
SMILESCCCC(C)COC(=O)CC(N)C1CC1
InChIInChI=1S/C12H23NO2/c1-3-4-9(2)8-15-12(14)7-11(13)10-5-6-10/h9-11H,3-8,13H2,1-2H3
InChIKeyYGWPYAIBMAHDJS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds7

About 2-methylpentyl 3-amino-3-cyclopropylpropanoate

2-methylpentyl 3-amino-3-cyclopropylpropanoate (PubChem CID 103284230) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methylpentyl 3-amino-3-cyclopropylpropanoate.

Molecular Properties

Compound Name2-methylpentyl 3-amino-3-cyclopropylpropanoate
PubChem CID103284230
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methylpentyl 3-amino-3-cyclopropylpropanoate
SMILESCCCC(C)COC(=O)CC(N)C1CC1
InChIInChI=1S/C12H23NO2/c1-3-4-9(2)8-15-12(14)7-11(13)10-5-6-10/h9-11H,3-8,13H2,1-2H3
InChIKeyYGWPYAIBMAHDJS-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
2-methylpentyl 2-aminopropanoate
CID 103284268
bis(2-methylpentyl) heptanedioate
CID 91718408
ethoxycarbonyl 3-amino-3-cyclopropylpropanoate
CID 174865263
4-O-(3-methylbutan-2-yl) 1-O-(2-methylpentyl) butanedioate
CID 91701834
2-cyclopropyl-2-(2-methylpentoxy)acetic acid
CID 103282788
2-methylpentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 103284259
2-(2-methylpentoxy)-2-oxoethanesulfinate
CID 91200813
2-methylpentyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 103284167
2-methylpentyl 2-(azetidin-3-yl)propanoate
CID 103284304
2-methylpentyl carbonofluoridate
CID 175528242
2-methylpentyl 3-piperidin-4-yloxypropanoate
CID 103284367

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 3-amino-3-cyclopropylpropanoate?
The IUPAC name of 2-methylpentyl 3-amino-3-cyclopropylpropanoate (CID 103284230) is 2-methylpentyl 3-amino-3-cyclopropylpropanoate.
What is the SMILES notation for 2-methylpentyl 3-amino-3-cyclopropylpropanoate?
The canonical SMILES for 2-methylpentyl 3-amino-3-cyclopropylpropanoate is CCCC(C)COC(=O)CC(N)C1CC1.
What is the InChIKey of 2-methylpentyl 3-amino-3-cyclopropylpropanoate?
The InChIKey is YGWPYAIBMAHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-9(2)8-15-12(14)7-11(13)10-5-6-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-methylpentyl 3-amino-3-cyclopropylpropanoate?
2-methylpentyl 3-amino-3-cyclopropylpropanoate has a molecular weight of 213.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 3-amino-3-cyclopropylpropanoate is sourced from PubChem (CID 103284230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).