2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde

C14H23N3O3 — CID 23291847

IUPAC2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1ccccn1
InChIInChI=1S/C6H5NO.C6H13N.C2H5NO2/c8-5-6-3-1-2-4-7-6;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-5H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeyQLQYARXWGQTNOI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.20
Rot. Bonds2

About 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde

2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde (PubChem CID 23291847) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde
PubChem CID23291847
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1ccccn1
InChIInChI=1S/C6H5NO.C6H13N.C2H5NO2/c8-5-6-3-1-2-4-7-6;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-5H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeyQLQYARXWGQTNOI-UHFFFAOYSA-N
XLogP1.20
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde
CID 23291769
N-methylcyclohexanamine;pyridine-2-carbaldehyde
CID 153367547
2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde
CID 23291708
cyclohexanamine;2-phenylacetic acid
CID 70192288
cyclohexanamine;3-phenylprop-2-enal
CID 163727365
cycloheptanamine;phenylmethanamine
CID 162192852
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 126779902
cyclohexanamine;pyridine
CID 22649715
but-2-ene;ethene;pyridine-2-carbaldehyde
CID 142875353
azane;benzoic acid;carbamic acid;cyclohexanamine
CID 173025744
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
2-aminoacetic acid;quinoxaline
CID 174689994

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde?
The IUPAC name of 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde (CID 23291847) is 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde.
What is the SMILES notation for 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde?
The canonical SMILES for 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde is NC1CCCCC1.NCC(=O)O.O=Cc1ccccn1.
What is the InChIKey of 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde?
The InChIKey is QLQYARXWGQTNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.C6H13N.C2H5NO2/c8-5-6-3-1-2-4-7-6;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-5H;6H,1-5,7H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde?
2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde has a molecular weight of 281.36 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde is sourced from PubChem (CID 23291847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).