2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde

C15H22F2N2O3 — CID 23291708

IUPAC2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1cccc(F)c1F
InChIInChI=1S/C7H4F2O.C6H13N.C2H5NO2/c8-6-3-1-2-5(4-10)7(6)9;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-4H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeyNNVMSORANCKTOS-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.08
Rot. Bonds2

About 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde

2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde (PubChem CID 23291708) has the molecular formula C15H22F2N2O3 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde
PubChem CID23291708
Molecular FormulaC15H22F2N2O3
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1cccc(F)c1F
InChIInChI=1S/C7H4F2O.C6H13N.C2H5NO2/c8-6-3-1-2-5(4-10)7(6)9;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-4H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeyNNVMSORANCKTOS-UHFFFAOYSA-N
XLogP2.08
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;2,3-difluorobenzaldehyde
CID 23295601
2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde
CID 23291847
2-aminoacetic acid;cyclohexanamine;quinoline-3-carbaldehyde
CID 23291769
3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
CID 58423208
4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine
CID 79879887
cyclohexanamine;2-phenylacetic acid
CID 70192288
N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
CID 115955712
3-(cyclopropylmethylamino)-2-fluorobenzaldehyde
CID 146361910
cycloheptanamine;phenylmethanamine
CID 162192852
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
cyclohexanamine;(2S)-2,4-diaminobutanoic acid;2,4-dichlorobenzaldehyde;hydron
CID 173276988
azane;benzoic acid;carbamic acid;cyclohexanamine
CID 173025744

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde?
The IUPAC name of 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde (CID 23291708) is 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde.
What is the SMILES notation for 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde?
The canonical SMILES for 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde is NC1CCCCC1.NCC(=O)O.O=Cc1cccc(F)c1F.
What is the InChIKey of 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde?
The InChIKey is NNVMSORANCKTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O.C6H13N.C2H5NO2/c8-6-3-1-2-5(4-10)7(6)9;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-4H;6H,1-5,7H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde?
2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde has a molecular weight of 316.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;cyclohexanamine;2,3-difluorobenzaldehyde is sourced from PubChem (CID 23291708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).