2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid

C8H13NO4 — CID 67420841

IUPAC2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
SMILESCOC(=O)C1CCN(CC(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-13-8(12)6-2-3-9(4-6)5-7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyUBOXHZAFNUHWPR-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.43
Rot. Bonds3

About 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid

2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid (PubChem CID 67420841) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
PubChem CID67420841
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
SMILESCOC(=O)C1CCN(CC(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-13-8(12)6-2-3-9(4-6)5-7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyUBOXHZAFNUHWPR-UHFFFAOYSA-N
XLogP-0.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
methyl (3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylate
CID 121475314
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
CID 59172147
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
CID 112730542
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl 1-but-2-enylpyrrolidine-3-carboxylate
CID 112730748
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid (CID 67420841) is 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid is COC(=O)C1CCN(CC(=O)O)C1.
What is the InChIKey of 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid?
The InChIKey is UBOXHZAFNUHWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-8(12)6-2-3-9(4-6)5-7(10)11/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid?
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 67420841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).