2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid

C12H22N4O3 — CID 61465103

IUPAC2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CCC(NC(=O)N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C12H22N4O3/c1-14-3-2-10(8-14)13-12(19)16-6-4-15(5-7-16)9-11(17)18/h10H,2-9H2,1H3,(H,13,19)(H,17,18)
InChIKeyCBFAXFAUIOPSET-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.90
Rot. Bonds3

About 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 61465103) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID61465103
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CCC(NC(=O)N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C12H22N4O3/c1-14-3-2-10(8-14)13-12(19)16-6-4-15(5-7-16)9-11(17)18/h10H,2-9H2,1H3,(H,13,19)(H,17,18)
InChIKeyCBFAXFAUIOPSET-UHFFFAOYSA-N
XLogP-0.90
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 64667444
2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 113467372
2-[4-[(3,5-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64733134
2-[4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823597
2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
CID 103064175
2-[4-[(3-methylcyclopentyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 114548966
2-[4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79350169
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 63660923
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79083458
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83019678

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid (CID 61465103) is 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid is CN1CCC(NC(=O)N2CCN(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is CBFAXFAUIOPSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-14-3-2-10(8-14)13-12(19)16-6-4-15(5-7-16)9-11(17)18/h10H,2-9H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 61465103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).