2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid

C15H22N2O2 — CID 46993000

IUPAC2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cccnc1)C1CCCCCC1
InChIInChI=1S/C15H22N2O2/c18-15(19)12-17(11-13-6-5-9-16-10-13)14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-12H2,(H,18,19)
InChIKeyJQXSZHCMXVTSKY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.69
Rot. Bonds5

About 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid

2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid (PubChem CID 46993000) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
PubChem CID46993000
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cccnc1)C1CCCCCC1
InChIInChI=1S/C15H22N2O2/c18-15(19)12-17(11-13-6-5-9-16-10-13)14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-12H2,(H,18,19)
InChIKeyJQXSZHCMXVTSKY-UHFFFAOYSA-N
XLogP2.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 77095410
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
CID 143113276
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide
CID 134127956
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid (CID 46993000) is 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1cccnc1)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid?
The InChIKey is JQXSZHCMXVTSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(19)12-17(11-13-6-5-9-16-10-13)14-7-3-1-2-4-8-14/h5-6,9-10,14H,1-4,7-8,11-12H2,(H,18,19).
What are the key properties of 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid?
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 46993000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).