2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate

C12H23NO2 — CID 106202639

IUPAC2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate
SMILESCC(C)CC(CN)C(=O)OCCC1CC1
InChIInChI=1S/C12H23NO2/c1-9(2)7-11(8-13)12(14)15-6-5-10-3-4-10/h9-11H,3-8,13H2,1-2H3
InChIKeyBMZOWABCNXJMKX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.95
Rot. Bonds7

About 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate

2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate (PubChem CID 106202639) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate
PubChem CID106202639
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate
SMILESCC(C)CC(CN)C(=O)OCCC1CC1
InChIInChI=1S/C12H23NO2/c1-9(2)7-11(8-13)12(14)15-6-5-10-3-4-10/h9-11H,3-8,13H2,1-2H3
InChIKeyBMZOWABCNXJMKX-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(aminomethyl)-4-methylpentanoate
CID 94397761
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505
2-cyclopropylethyl 2-aminobutanoate
CID 106202655
3-(2-cyclopropylethoxy)-2-methylpropan-1-amine
CID 106203362
2-cyclopropylethyl 2-amino-4-methoxybutanoate
CID 106202740
dipropyl 2,6-bis(2-methylpropyl)-4-oxoheptanedioate
CID 90839477
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
2-cyclohexylethyl 2-iodopropanoate
CID 155660085
(E)-4-[2-[4-(2-methylpropyl)cyclohexyl]ethoxy]-4-oxobut-2-enoic acid
CID 172565476

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate?
The IUPAC name of 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate (CID 106202639) is 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate.
What is the SMILES notation for 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate?
The canonical SMILES for 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate is CC(C)CC(CN)C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate?
The InChIKey is BMZOWABCNXJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-11(8-13)12(14)15-6-5-10-3-4-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate?
2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate has a molecular weight of 213.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-(aminomethyl)-4-methylpentanoate is sourced from PubChem (CID 106202639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).