methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate

C9H15NO3 — CID 12993369

IUPACmethyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate
SMILESCOC(=O)[C@](C)(N)[C@H]1CCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(10,8(12)13-2)6-3-4-7(11)5-6/h6H,3-5,10H2,1-2H3/t6-,9+/m0/s1
InChIKeyNXEAVYUSWACISC-IMTBSYHQSA-N
MW185.22 g/mol
LogP0.25
Rot. Bonds2

About methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate

methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate (PubChem CID 12993369) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate
PubChem CID12993369
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate
SMILESCOC(=O)[C@](C)(N)[C@H]1CCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(10,8(12)13-2)6-3-4-7(11)5-6/h6H,3-5,10H2,1-2H3/t6-,9+/m0/s1
InChIKeyNXEAVYUSWACISC-IMTBSYHQSA-N
XLogP0.25
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate?
The IUPAC name of methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate (CID 12993369) is methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate.
What is the SMILES notation for methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate?
The canonical SMILES for methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate is COC(=O)[C@](C)(N)[C@H]1CCC(=O)C1.
What is the InChIKey of methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate?
The InChIKey is NXEAVYUSWACISC-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(10,8(12)13-2)6-3-4-7(11)5-6/h6H,3-5,10H2,1-2H3/t6-,9+/m0/s1.
What are the key properties of methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate?
methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate is sourced from PubChem (CID 12993369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).