2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid

C9H15NO3 — CID 126972582

IUPAC2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid
SMILESCC1(C)CCC/C1=N\OCC(=O)O
InChIInChI=1S/C9H15NO3/c1-9(2)5-3-4-7(9)10-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12)/b10-7+
InChIKeyRXPCYEMQGUWFRR-JXMROGBWSA-N
MW185.22 g/mol
LogP1.65
Rot. Bonds3

About 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid

2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid (PubChem CID 126972582) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid
PubChem CID126972582
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid
SMILESCC1(C)CCC/C1=N\OCC(=O)O
InChIInChI=1S/C9H15NO3/c1-9(2)5-3-4-7(9)10-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12)/b10-7+
InChIKeyRXPCYEMQGUWFRR-JXMROGBWSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
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

2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid
CID 77055405
2-[(3,3-dimethylcyclopentylidene)amino]oxyacetic acid
CID 80700054
2-[(E)-[(4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydroinden-1-ylidene]amino]oxyacetic acid
CID 140783670
2-[(3-methylcyclohexylidene)amino]oxyacetic acid
CID 77013406
2-[(E)-1-(1-methylcyclopropyl)ethylideneamino]oxyacetic acid
CID 167352426
2-[(3,3,5-trimethylcyclohexylidene)amino]oxyacetic acid
CID 77013354
2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
CID 63929088
2-[(4-ethylcyclohexylidene)amino]oxyacetic acid
CID 63929078
2-[(E)-[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid
CID 177124202
2-[(E)-[(8S,9R,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid
CID 98083554
2-[(3,5-dimethylcyclohexylidene)amino]oxyacetic acid
CID 64734999
2-[(2,2-dimethylcyclopentylidene)amino]guanidine
CID 79821865

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid (CID 126972582) is 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid is CC1(C)CCC/C1=N\OCC(=O)O.
What is the InChIKey of 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid?
The InChIKey is RXPCYEMQGUWFRR-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2)5-3-4-7(9)10-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12)/b10-7+.
What are the key properties of 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid?
2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid has a molecular weight of 185.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid is sourced from PubChem (CID 126972582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).