2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid

C11H19NO5 — CID 112632682

IUPAC2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-4-8(10(14)15)12-6-7(13)5-9(12)11(16)17-2/h7-9,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyTVUSJTNBPOQMKA-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.15
Rot. Bonds5

About 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid

2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid (PubChem CID 112632682) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid
PubChem CID112632682
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-4-8(10(14)15)12-6-7(13)5-9(12)11(16)17-2/h7-9,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyTVUSJTNBPOQMKA-UHFFFAOYSA-N
XLogP-0.15
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
CID 141060724
methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate
CID 112633018
methyl 1-(2-cyano-1-phenylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971462
methyl (2S,4R)-1-[(S)-cyano(phenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71613981
methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632656
methyl 1-(2,2-diethoxyethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632787
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid (CID 112632682) is 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CC(O)CC1C(=O)OC.
What is the InChIKey of 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is TVUSJTNBPOQMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-4-8(10(14)15)12-6-7(13)5-9(12)11(16)17-2/h7-9,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid?
2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 245.27 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 112632682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).