methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate

C14H24N2O5 — CID 58984876

IUPACmethyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
SMILESCCO[C@H]1CCN(C)[C@@H]1C(=O)NCC(=O)CCC(=O)OC
InChIInChI=1S/C14H24N2O5/c1-4-21-11-7-8-16(2)13(11)14(19)15-9-10(17)5-6-12(18)20-3/h11,13H,4-9H2,1-3H3,(H,15,19)/t11-,13-/m0/s1
InChIKeyIZFWDQLPUXZKNA-AAEUAGOBSA-N
MW300.36 g/mol
LogP-0.27
Rot. Bonds8

About methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate

methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate (PubChem CID 58984876) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
PubChem CID58984876
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namemethyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate
SMILESCCO[C@H]1CCN(C)[C@@H]1C(=O)NCC(=O)CCC(=O)OC
InChIInChI=1S/C14H24N2O5/c1-4-21-11-7-8-16(2)13(11)14(19)15-9-10(17)5-6-12(18)20-3/h11,13H,4-9H2,1-3H3,(H,15,19)/t11-,13-/m0/s1
InChIKeyIZFWDQLPUXZKNA-AAEUAGOBSA-N
XLogP-0.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
The IUPAC name of methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate (CID 58984876) is methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate.
What is the SMILES notation for methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
The canonical SMILES for methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate is CCO[C@H]1CCN(C)[C@@H]1C(=O)NCC(=O)CCC(=O)OC.
What is the InChIKey of methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
The InChIKey is IZFWDQLPUXZKNA-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-21-11-7-8-16(2)13(11)14(19)15-9-10(17)5-6-12(18)20-3/h11,13H,4-9H2,1-3H3,(H,15,19)/t11-,13-/m0/s1.
What are the key properties of methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate?
methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate has a molecular weight of 300.36 g/mol, XLogP of -0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S,3S)-3-ethoxy-1-methylpyrrolidine-2-carbonyl]amino]-4-oxopentanoate is sourced from PubChem (CID 58984876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).