2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid

C15H27N3O3 — CID 79360162

IUPAC2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCC1(C)C(CNC(=O)N2CCN(CC(=O)O)CC2)C1(C)C
InChIInChI=1S/C15H27N3O3/c1-14(2)11(15(14,3)4)9-16-13(21)18-7-5-17(6-8-18)10-12(19)20/h11H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyXHYFBGCATKFIQC-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.08
Rot. Bonds4

About 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid

2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid (PubChem CID 79360162) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid
PubChem CID79360162
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid
SMILESCC1(C)C(CNC(=O)N2CCN(CC(=O)O)CC2)C1(C)C
InChIInChI=1S/C15H27N3O3/c1-14(2)11(15(14,3)4)9-16-13(21)18-7-5-17(6-8-18)10-12(19)20/h11H,5-10H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyXHYFBGCATKFIQC-UHFFFAOYSA-N
XLogP1.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79350169
2-[4-(2-acetamidoethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61201886
2-[4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823597
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79083458
2-[4-(butylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824119
2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83019678
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79359494
2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79878279
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61206204
2-[4-(2-cyclopentylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61205575
3-[[4-(carboxymethyl)piperazine-1-carbonyl]amino]-2-(methylamino)propanoic acid
CID 169025319
2-[4-(thiolan-3-ylmethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 107297352

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid (CID 79360162) is 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid is CC1(C)C(CNC(=O)N2CCN(CC(=O)O)CC2)C1(C)C.
What is the InChIKey of 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is XHYFBGCATKFIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(2)11(15(14,3)4)9-16-13(21)18-7-5-17(6-8-18)10-12(19)20/h11H,5-10H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 79360162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).