4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid

C10H17NO4 — CID 129370989

IUPAC4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCOC[C@H]1CCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-15-7-8-4-5-11(6-8)9(12)2-3-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyPGIWCVPWXXMMRT-QMMMGPOBSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds5

About 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid

4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid (PubChem CID 129370989) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
PubChem CID129370989
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCOC[C@H]1CCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-15-7-8-4-5-11(6-8)9(12)2-3-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyPGIWCVPWXXMMRT-QMMMGPOBSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129393375
5-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107910170
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
CID 64597214
3-[1-(4-methoxypentanoyl)pyrrolidin-3-yl]propanoic acid
CID 113382138
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 129370986
3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid
CID 64597618
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64569235
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid (CID 129370989) is 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid is COC[C@H]1CCN(C(=O)CCC(=O)O)C1.
What is the InChIKey of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
The InChIKey is PGIWCVPWXXMMRT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-7-8-4-5-11(6-8)9(12)2-3-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid?
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 129370989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).