2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid

C15H24N2O3 — CID 106813626

IUPAC2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C(=O)C2CC3CC3C2)C1
InChIInChI=1S/C15H24N2O3/c18-14(19)8-16-7-10-2-1-3-17(9-10)15(20)13-5-11-4-12(11)6-13/h10-13,16H,1-9H2,(H,18,19)
InChIKeyFLZSMZPATAFUPF-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.95
Rot. Bonds5

About 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813626) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813626
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C(=O)C2CC3CC3C2)C1
InChIInChI=1S/C15H24N2O3/c18-14(19)8-16-7-10-2-1-3-17(9-10)15(20)13-5-11-4-12(11)6-13/h10-13,16H,1-9H2,(H,18,19)
InChIKeyFLZSMZPATAFUPF-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid with MolForge

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Related Compounds

2-[[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813636
2-[[1-(2-methylcyclopentanecarbonyl)piperidin-3-yl]methylamino]acetic acid
CID 107181189
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
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-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918202
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772
2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813559

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid (CID 106813626) is 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(C(=O)C2CC3CC3C2)C1.
What is the InChIKey of 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is FLZSMZPATAFUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(19)8-16-7-10-2-1-3-17(9-10)15(20)13-5-11-4-12(11)6-13/h10-13,16H,1-9H2,(H,18,19).
What are the key properties of 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).