2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid

C15H26N2O3 — CID 107181189

IUPAC2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESCC1CCCC1C(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-4-2-6-13(11)15(20)17-7-3-5-12(10-17)8-16-9-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyRVMPJRHLQWIYNF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.34
Rot. Bonds5

About 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 107181189) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID107181189
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESCC1CCCC1C(=O)N1CCCC(CNCC(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-4-2-6-13(11)15(20)17-7-3-5-12(10-17)8-16-9-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyRVMPJRHLQWIYNF-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylcyclopentanecarbonyl)azetidin-3-yl]acetic acid
CID 107175580
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813626
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
2-[[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813636
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813559
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813539
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid (CID 107181189) is 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid is CC1CCCC1C(=O)N1CCCC(CNCC(=O)O)C1.
What is the InChIKey of 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is RVMPJRHLQWIYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-4-2-6-13(11)15(20)17-7-3-5-12(10-17)8-16-9-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 107181189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).