ethyl 2-cyclopropyl-2-(methylamino)propanoate

C9H17NO2 — CID 60788390

IUPACethyl 2-cyclopropyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(NC)C1CC1
InChIInChI=1S/C9H17NO2/c1-4-12-8(11)9(2,10-3)7-5-6-7/h7,10H,4-6H2,1-3H3
InChIKeyYOHYSWODGIUPID-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds4

About ethyl 2-cyclopropyl-2-(methylamino)propanoate

ethyl 2-cyclopropyl-2-(methylamino)propanoate (PubChem CID 60788390) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(methylamino)propanoate
PubChem CID60788390
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-cyclopropyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(NC)C1CC1
InChIInChI=1S/C9H17NO2/c1-4-12-8(11)9(2,10-3)7-5-6-7/h7,10H,4-6H2,1-3H3
InChIKeyYOHYSWODGIUPID-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclopropyl-2-(ethylamino)propanoate
CID 60788384
ethyl 2-(4-bromoanilino)-2-cyclopropylpropanoate
CID 54890637
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
ethyl 2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]propanoate
CID 79308318
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
CID 106666798
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
CID 79299326
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)propanoate (CID 60788390) is ethyl 2-cyclopropyl-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(methylamino)propanoate is CCOC(=O)C(C)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(methylamino)propanoate?
The InChIKey is YOHYSWODGIUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-12-8(11)9(2,10-3)7-5-6-7/h7,10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-2-(methylamino)propanoate?
ethyl 2-cyclopropyl-2-(methylamino)propanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(methylamino)propanoate is sourced from PubChem (CID 60788390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).