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

C15H28N2O3 — CID 106813876

IUPAC2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCCCCC2O)C1
InChIInChI=1S/C15H28N2O3/c18-14-7-3-1-2-6-13(14)17-8-4-5-12(11-17)9-16-10-15(19)20/h12-14,16,18H,1-11H2,(H,19,20)
InChIKeyPKIWACFLZBDYMU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.07
Rot. Bonds5

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

2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813876) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813876
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C2CCCCCC2O)C1
InChIInChI=1S/C15H28N2O3/c18-14-7-3-1-2-6-13(14)17-8-4-5-12(11-17)9-16-10-15(19)20/h12-14,16,18H,1-11H2,(H,19,20)
InChIKeyPKIWACFLZBDYMU-UHFFFAOYSA-N
XLogP1.07
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106814125
2-[3-(methylaminomethyl)piperidin-1-yl]cyclopentan-1-ol
CID 61203694
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
2-[(1-spiro[3.5]nonan-3-ylpiperidin-3-yl)methylamino]acetic acid
CID 106813964
trans-(1S,2S)-2-[3-(methoxymethyl)piperidin-1-yl]cyclohexan-1-ol
CID 106588237
2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclohexan-1-ol
CID 63267923
2-[3-[(carboxymethylamino)methyl]piperidin-1-yl]propanoic acid
CID 106813990
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid (CID 106813876) is 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(C2CCCCCC2O)C1.
What is the InChIKey of 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is PKIWACFLZBDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14-7-3-1-2-6-13(14)17-8-4-5-12(11-17)9-16-10-15(19)20/h12-14,16,18H,1-11H2,(H,19,20).
What are the key properties of 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxycycloheptyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).