trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate

C9H17NO2 — CID 13049608

IUPACtrans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CCC[C@@H]1N
InChIInChI=1S/C9H17NO2/c1-3-12-8(11)9(2)6-4-5-7(9)10/h7H,3-6,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyKWNRJTCVDJSFTE-IONNQARKSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate

trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 13049608) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID13049608
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametrans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CCC[C@@H]1N
InChIInChI=1S/C9H17NO2/c1-3-12-8(11)9(2)6-4-5-7(9)10/h7H,3-6,10H2,1-2H3/t7-,9+/m0/s1
InChIKeyKWNRJTCVDJSFTE-IONNQARKSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate (CID 13049608) is trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate is CCOC(=O)[C@]1(C)CCC[C@@H]1N.
What is the InChIKey of trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is KWNRJTCVDJSFTE-IONNQARKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-8(11)9(2)6-4-5-7(9)10/h7H,3-6,10H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate?
trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2S)-2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 13049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).