2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid

C14H25N3O3 — CID 79878279

IUPAC2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1(C)CCCC1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2)5-3-4-11(14)15-13(20)17-8-6-16(7-9-17)10-12(18)19/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyHFCHTDFGIPXXDE-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds3

About 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 79878279) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID79878279
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1(C)CCCC1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2)5-3-4-11(14)15-13(20)17-8-6-16(7-9-17)10-12(18)19/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyHFCHTDFGIPXXDE-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79870364
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
2-[4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79350169
4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide
CID 164642735
N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
2-[4-(2,2-dimethylcyclopentanecarbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107175413
N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841157
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61468395
2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 113467372
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 79872070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid (CID 79878279) is 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid is CC1(C)CCCC1NC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is HFCHTDFGIPXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2)5-3-4-11(14)15-13(20)17-8-6-16(7-9-17)10-12(18)19/h11H,3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 79878279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).