2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid

C12H19N3O4 — CID 43521272

IUPAC2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
SMILESCN1CC(C(=O)N2CCN(CC(=O)O)CC2)CC1=O
InChIInChI=1S/C12H19N3O4/c1-13-7-9(6-10(13)16)12(19)15-4-2-14(3-5-15)8-11(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyJAQZWKBHIOJONL-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.31
Rot. Bonds3

About 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid

2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 43521272) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
PubChem CID43521272
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
SMILESCN1CC(C(=O)N2CCN(CC(=O)O)CC2)CC1=O
InChIInChI=1S/C12H19N3O4/c1-13-7-9(6-10(13)16)12(19)15-4-2-14(3-5-15)8-11(17)18/h9H,2-8H2,1H3,(H,17,18)
InChIKeyJAQZWKBHIOJONL-UHFFFAOYSA-N
XLogP-1.31
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 63655372
(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94092850
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785
2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 64667444
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 97242543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid (CID 43521272) is 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid is CN1CC(C(=O)N2CCN(CC(=O)O)CC2)CC1=O.
What is the InChIKey of 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is JAQZWKBHIOJONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-13-7-9(6-10(13)16)12(19)15-4-2-14(3-5-15)8-11(17)18/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of -1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).