methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate

C13H25NO2 — CID 59033031

IUPACmethyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate
SMILESCC[C@H]1CC(N(C)C(C)C(=O)OC)C[C@@H]1C
InChIInChI=1S/C13H25NO2/c1-6-11-8-12(7-9(11)2)14(4)10(3)13(15)16-5/h9-12H,6-8H2,1-5H3/t9-,10?,11-,12?/m0/s1
InChIKeyZVWXNGSWBODWIB-VOBJUBJWSA-N
MW227.35 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate

methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate (PubChem CID 59033031) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate
PubChem CID59033031
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate
SMILESCC[C@H]1CC(N(C)C(C)C(=O)OC)C[C@@H]1C
InChIInChI=1S/C13H25NO2/c1-6-11-8-12(7-9(11)2)14(4)10(3)13(15)16-5/h9-12H,6-8H2,1-5H3/t9-,10?,11-,12?/m0/s1
InChIKeyZVWXNGSWBODWIB-VOBJUBJWSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate?
The IUPAC name of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate (CID 59033031) is methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate.
What is the SMILES notation for methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate?
The canonical SMILES for methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate is CC[C@H]1CC(N(C)C(C)C(=O)OC)C[C@@H]1C.
What is the InChIKey of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate?
The InChIKey is ZVWXNGSWBODWIB-VOBJUBJWSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-11-8-12(7-9(11)2)14(4)10(3)13(15)16-5/h9-12H,6-8H2,1-5H3/t9-,10?,11-,12?/m0/s1.
What are the key properties of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate?
methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate is sourced from PubChem (CID 59033031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).