3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid

C16H28N2O3 — CID 79872070

IUPAC3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCC1(C)CCCC1NC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C16H28N2O3/c1-16(2)10-5-7-13(16)17-15(21)18-11-4-3-6-12(18)8-9-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQOECPHGVCQTAKZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.99
Rot. Bonds4

About 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 79872070) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID79872070
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCC1(C)CCCC1NC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C16H28N2O3/c1-16(2)10-5-7-13(16)17-15(21)18-11-4-3-6-12(18)8-9-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQOECPHGVCQTAKZ-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62215893
2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 116635681
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79878279
3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63843411
3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
CID 103357315
2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79870364
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid (CID 79872070) is 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid is CC1(C)CCCC1NC(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is QOECPHGVCQTAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2)10-5-7-13(16)17-15(21)18-11-4-3-6-12(18)8-9-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 79872070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).