1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

C15H25N3O3 — CID 107530315

IUPAC1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C1CCC(CN2CCC(N3CCCC3C(=O)O)CC2)N1
InChIInChI=1S/C15H25N3O3/c19-14-4-3-11(16-14)10-17-8-5-12(6-9-17)18-7-1-2-13(18)15(20)21/h11-13H,1-10H2,(H,16,19)(H,20,21)
InChIKeySAMFWPCMFZTEBV-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.28
Rot. Bonds4

About 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 107530315) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID107530315
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C1CCC(CN2CCC(N3CCCC3C(=O)O)CC2)N1
InChIInChI=1S/C15H25N3O3/c19-14-4-3-11(16-14)10-17-8-5-12(6-9-17)18-7-1-2-13(18)15(20)21/h11-13H,1-10H2,(H,16,19)(H,20,21)
InChIKeySAMFWPCMFZTEBV-UHFFFAOYSA-N
XLogP0.28
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107530362
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one
CID 103668847
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 82838775
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020451
(2S)-1-[3-(5-oxopyrrolidin-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54077398
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 107530315) is 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is O=C1CCC(CN2CCC(N3CCCC3C(=O)O)CC2)N1.
What is the InChIKey of 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is SAMFWPCMFZTEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14-4-3-11(16-14)10-17-8-5-12(6-9-17)18-7-1-2-13(18)15(20)21/h11-13H,1-10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107530315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).