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

C12H21N3O3 — CID 113467372

IUPAC2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1CC(NC(=O)N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C12H21N3O3/c1-9-6-10(7-9)13-12(18)15-4-2-14(3-5-15)8-11(16)17/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyZJDSBLDNQPAYNT-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.20
Rot. Bonds3

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

2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 113467372) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID113467372
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1CC(NC(=O)N2CCN(CC(=O)O)CC2)C1
InChIInChI=1S/C12H21N3O3/c1-9-6-10(7-9)13-12(18)15-4-2-14(3-5-15)8-11(16)17/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyZJDSBLDNQPAYNT-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,5-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64733134
2-[4-[(3-methylcyclopentyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 114548966
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
2-[4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79350169
2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
CID 103064175
2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 64667444
2-[4-(2-acetamidoethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61201886
2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 63660923
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79878279
2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61468395

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid (CID 113467372) is 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid is CC1CC(NC(=O)N2CCN(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is ZJDSBLDNQPAYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9-6-10(7-9)13-12(18)15-4-2-14(3-5-15)8-11(16)17/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 113467372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).