4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid

C13H23NO3 — CID 107175151

IUPAC4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-13(2)8-4-6-10(13)12(17)14(3)9-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyGVXIZBRNDRBCBE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds5

About 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid

4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid (PubChem CID 107175151) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid
PubChem CID107175151
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-13(2)8-4-6-10(13)12(17)14(3)9-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyGVXIZBRNDRBCBE-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid (CID 107175151) is 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1CCCC1(C)C.
What is the InChIKey of 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid?
The InChIKey is GVXIZBRNDRBCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2)8-4-6-10(13)12(17)14(3)9-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid?
4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 107175151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).