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

C12H23NO2 — CID 59033006

IUPACmethyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate
SMILESCC[C@H]1CC(NC(C)C(=O)OC)C[C@@H]1C
InChIInChI=1S/C12H23NO2/c1-5-10-7-11(6-8(10)2)13-9(3)12(14)15-4/h8-11,13H,5-7H2,1-4H3/t8-,9?,10-,11?/m0/s1
InChIKeyNLCZIYXWALRDJC-XEAZBWPWSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds4

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

methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate (PubChem CID 59033006) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate
PubChem CID59033006
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate
SMILESCC[C@H]1CC(NC(C)C(=O)OC)C[C@@H]1C
InChIInChI=1S/C12H23NO2/c1-5-10-7-11(6-8(10)2)13-9(3)12(14)15-4/h8-11,13H,5-7H2,1-4H3/t8-,9?,10-,11?/m0/s1
InChIKeyNLCZIYXWALRDJC-XEAZBWPWSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[(1R)-1-cyclopentylnonyl]amino]-3-methylbutanoate
CID 134940555
Methyl 2-[(1-cyclopentyl-2,2,2-trifluoroethyl)amino]acetate
CID 84593040
methyl 2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate
CID 97140151
methyl 2-[[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetate
CID 97140152
tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate
CID 13239734
(Cyclopentylmethyl-amino)-acetic acid methyl ester
CID 43371054
Methyl 2-(1-cyclohexylbutylamino)acetate
CID 53678588
Tert-butyl 2-[(3-methylcyclopentyl)amino]acetate
CID 58369136
methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]-methylamino]propanoate
CID 59033031
Methyl 2-(2-ethylhexylamino)propanoate
CID 61672870
methyl (2S)-2-(4-methylpentylamino)propanoate
CID 88856102
methyl 2-[[(2R,3S)-3,4-dimethylpentan-2-yl]amino]propanoate
CID 122577409

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate?
The IUPAC name of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate (CID 59033006) is methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate is CC[C@H]1CC(NC(C)C(=O)OC)C[C@@H]1C.
What is the InChIKey of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate?
The InChIKey is NLCZIYXWALRDJC-XEAZBWPWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10-7-11(6-8(10)2)13-9(3)12(14)15-4/h8-11,13H,5-7H2,1-4H3/t8-,9?,10-,11?/m0/s1.
What are the key properties of methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate?
methyl 2-[[(3S,4S)-3-ethyl-4-methylcyclopentyl]amino]propanoate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 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]amino]propanoate is sourced from PubChem (CID 59033006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).