2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde

C18H25N3O3 — CID 23291769

IUPAC2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1cnc2ccccc2c1
InChIInChI=1S/C10H7NO.C6H13N.C2H5NO2/c12-7-8-5-9-3-1-2-4-10(9)11-6-8;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-7H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeyRTAVTNBGFLHUCO-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.35
Rot. Bonds2

About 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde

2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde (PubChem CID 23291769) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde
PubChem CID23291769
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1cnc2ccccc2c1
InChIInChI=1S/C10H7NO.C6H13N.C2H5NO2/c12-7-8-5-9-3-1-2-4-10(9)11-6-8;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-7H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeyRTAVTNBGFLHUCO-UHFFFAOYSA-N
XLogP2.35
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde?
The IUPAC name of 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde (CID 23291769) is 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde.
What is the SMILES notation for 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde?
The canonical SMILES for 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde is NC1CCCCC1.NCC(=O)O.O=Cc1cnc2ccccc2c1.
What is the InChIKey of 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde?
The InChIKey is RTAVTNBGFLHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO.C6H13N.C2H5NO2/c12-7-8-5-9-3-1-2-4-10(9)11-6-8;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-7H;6H,1-5,7H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde?
2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde has a molecular weight of 331.42 g/mol, XLogP of 2.35, 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;quinoline-3-carbaldehyde is sourced from PubChem (CID 23291769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).