ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate

C12H23NO3 — CID 106931584

IUPACethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
SMILESCCOC(=O)C(CC)(CN)COCC1CC1
InChIInChI=1S/C12H23NO3/c1-3-12(8-13,11(14)16-4-2)9-15-7-10-5-6-10/h10H,3-9,13H2,1-2H3
InChIKeyGPZDOPOJSOETCK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds8

About ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate

ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate (PubChem CID 106931584) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
PubChem CID106931584
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
SMILESCCOC(=O)C(CC)(CN)COCC1CC1
InChIInChI=1S/C12H23NO3/c1-3-12(8-13,11(14)16-4-2)9-15-7-10-5-6-10/h10H,3-9,13H2,1-2H3
InChIKeyGPZDOPOJSOETCK-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
ethyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487001
ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
CID 106487669
ethyl 2-(aminomethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butanoate
CID 106487561
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
ethyl 2-(aminomethyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butanoate
CID 106487613
ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
CID 106487510
ethyl 2,2-bis(sulfanylmethyl)butanoate
CID 87450503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate (CID 106931584) is ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate is CCOC(=O)C(CC)(CN)COCC1CC1.
What is the InChIKey of ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate?
The InChIKey is GPZDOPOJSOETCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(8-13,11(14)16-4-2)9-15-7-10-5-6-10/h10H,3-9,13H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate?
ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate is sourced from PubChem (CID 106931584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).