2-(2-cyclohexylidenehydrazinyl)propanoic acid

C9H16N2O2 — CID 56611169

IUPAC2-(2-cyclohexylidenehydrazinyl)propanoic acid
SMILESCC(NN=C1CCCCC1)C(=O)O
InChIInChI=1S/C9H16N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyQTBAJUJDJKVLEO-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-cyclohexylidenehydrazinyl)propanoic acid

2-(2-cyclohexylidenehydrazinyl)propanoic acid (PubChem CID 56611169) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(2-cyclohexylidenehydrazinyl)propanoic acid.

Molecular Properties

Compound Name2-(2-cyclohexylidenehydrazinyl)propanoic acid
PubChem CID56611169
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(2-cyclohexylidenehydrazinyl)propanoic acid
SMILESCC(NN=C1CCCCC1)C(=O)O
InChIInChI=1S/C9H16N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyQTBAJUJDJKVLEO-UHFFFAOYSA-N
XLogP1.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylideneamino)-3-methylbutanamide
CID 5165993
2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid
CID 21203676
(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide
CID 92640740
2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
CID 3584693
N-(cyclohexylideneamino)-2,2-diphenylacetamide
CID 968754
N-tert-butyl-N'-(cyclohexylideneamino)oxamide
CID 2844417
N-(cyclododecylideneamino)benzamide
CID 4147051
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
(2R)-2-(2-diazohydrazinyl)propanoic acid
CID 23623073
2-(2-cyclohexylidenehydrazinyl)ethanol
CID 21452329
N-(cycloheptylideneamino)pentanamide
CID 3533607
(2R)-2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylamino)propanoic acid
CID 70512600

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylidenehydrazinyl)propanoic acid?
The IUPAC name of 2-(2-cyclohexylidenehydrazinyl)propanoic acid (CID 56611169) is 2-(2-cyclohexylidenehydrazinyl)propanoic acid.
What is the SMILES notation for 2-(2-cyclohexylidenehydrazinyl)propanoic acid?
The canonical SMILES for 2-(2-cyclohexylidenehydrazinyl)propanoic acid is CC(NN=C1CCCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclohexylidenehydrazinyl)propanoic acid?
The InChIKey is QTBAJUJDJKVLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h7,10H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-cyclohexylidenehydrazinyl)propanoic acid?
2-(2-cyclohexylidenehydrazinyl)propanoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylidenehydrazinyl)propanoic acid is sourced from PubChem (CID 56611169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).