cyclopentylmethyl (2S)-2-(methylamino)propanoate

C10H19NO2 — CID 163424985

IUPACcyclopentylmethyl (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)OCC1CCCC1
InChIInChI=1S/C10H19NO2/c1-8(11-2)10(12)13-7-9-5-3-4-6-9/h8-9,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyALRWTHGFYQZURO-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

About cyclopentylmethyl (2S)-2-(methylamino)propanoate

cyclopentylmethyl (2S)-2-(methylamino)propanoate (PubChem CID 163424985) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cyclopentylmethyl (2S)-2-(methylamino)propanoate.

Molecular Properties

Compound Namecyclopentylmethyl (2S)-2-(methylamino)propanoate
PubChem CID163424985
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecyclopentylmethyl (2S)-2-(methylamino)propanoate
SMILESCN[C@@H](C)C(=O)OCC1CCCC1
InChIInChI=1S/C10H19NO2/c1-8(11-2)10(12)13-7-9-5-3-4-6-9/h8-9,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyALRWTHGFYQZURO-QMMMGPOBSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl (2S)-2-(methylamino)propanoate?
The IUPAC name of cyclopentylmethyl (2S)-2-(methylamino)propanoate (CID 163424985) is cyclopentylmethyl (2S)-2-(methylamino)propanoate.
What is the SMILES notation for cyclopentylmethyl (2S)-2-(methylamino)propanoate?
The canonical SMILES for cyclopentylmethyl (2S)-2-(methylamino)propanoate is CN[C@@H](C)C(=O)OCC1CCCC1.
What is the InChIKey of cyclopentylmethyl (2S)-2-(methylamino)propanoate?
The InChIKey is ALRWTHGFYQZURO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(11-2)10(12)13-7-9-5-3-4-6-9/h8-9,11H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of cyclopentylmethyl (2S)-2-(methylamino)propanoate?
cyclopentylmethyl (2S)-2-(methylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl (2S)-2-(methylamino)propanoate is sourced from PubChem (CID 163424985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).